2-[2-diethylaminoethyl-(9-oxidanylidenethioxanthen-1-yl)carbamoyl]oxyethyl N-(2-diethylaminoethyl)-N-(9-oxidanylidenethioxanthen-1-yl)carbamate

Systemtic Name: 2-[2-diethylaminoethyl-(9-oxidanylidenethioxanthen-1-yl)carbamoyl]oxyethyl N-(2-diethylaminoethyl)-N-(9-oxidanylidenethioxanthen-1-yl)carbamate Openeye Name: 2-[2-diethylaminoethyl-(9-oxothioxanthen-1-yl)carbamoyl]oxyethyl N-(2-diethylaminoethyl)-N-(9-oxothioxanthen-1-yl)carbamate CAS Name: N-(2-diethylaminoethyl)-N-(9-oxo-1-thioxanthenyl)carbamic acid 2-[[2-diethylaminoethyl-(9-oxo-1-thioxanthenyl)amino]-oxomethoxy]ethyl ester IUPAC Name: 2-[2-diethylaminoethyl-(9-oxothioxanthen-1-yl)carbamoyl]oxyethyl N-(2-diethylaminoethyl)-N-(9-oxothioxanthen-1-yl)carbamate Traditional Name: N-(2-diethylaminoethyl)-N-(9-ketothioxanthen-1-yl)carbamic acid 2-[2-diethylaminoethyl-(9-ketothioxanthen-1-yl)carbamoyl]oxyethyl ester Formula: C42H46N4O6S2 MolecularWeight: 766.96784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O)C(=O)OCCOC(=O)N(CCN(CC)CC)C4=C5C(=CC=C4)SC6=CC=CC=C6C5=O

Isomeric SMILES

CCN(CC)CCN(C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O)C(=O)OCCOC(=O)N(CCN(CC)CC)C4=C5C(=CC=C4)SC6=CC=CC=C6C5=O

InChI

InChI=1S/C42H46N4O6S2/c1-5-43(6-2)23-25-45(31-17-13-21-35-37(31)39(47)29-15-9-11-19-33(29)53-35)41(49)51-27-28-52-42(50)46(26-24-44(7-3)8-4)32-18-14-22-36-38(32)40(48)30-16-10-12-20-34(30)54-36/h9-22H,5-8,23-28H2,1-4H3