tert-butyl N-[2-[[9-azanyl-1-(2-diethylaminoethylamino)-6-oxidanylidene-thioxanthen-4-yl]amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[9-azanyl-1-(2-diethylaminoethylamino)-6-oxidanylidene-thioxanthen-4-yl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[[9-amino-1-(2-diethylaminoethylamino)-6-oxo-thioxanthen-4-yl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[9-amino-1-(2-diethylaminoethylamino)-6-oxo-4-thioxanthenyl]amino]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[9-amino-1-(2-diethylaminoethylamino)-6-oxothioxanthen-4-yl]amino]-2-oxoethyl]carbamate Traditional Name: N-[2-[[9-amino-1-(2-diethylaminoethylamino)-6-keto-thioxanthen-4-yl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C26H35N5O4S MolecularWeight: 513.6522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C3C=CC(=O)C=C3SC2=C(C=C1)NC(=O)CNC(=O)OC(C)(C)C)N

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C3C=CC(=O)C=C3SC2=C(C=C1)NC(=O)CNC(=O)OC(C)(C)C)N

InChI

InChI=1S/C26H35N5O4S/c1-6-31(7-2)13-12-28-18-10-11-19(30-21(33)15-29-25(34)35-26(3,4)5)24-22(18)23(27)17-9-8-16(32)14-20(17)36-24/h8-11,14,28H,6-7,12-13,15,27H2,1-5H3,(H,29,34)(H,30,33)