[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl N-butylcarbamate

Systemtic Name: [1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl N-butylcarbamate Openeye Name: [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl N-butylcarbamate CAS Name: N-butylcarbamic acid [1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl ester IUPAC Name: [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl N-butylcarbamate Traditional Name: N-butylcarbamic acid [1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl ester Formula: C25H33N3O3S MolecularWeight: 455.61282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OCC1=C2C(=C(C=C1)NCCN(CC)CC)C(=O)C3=CC=CC=C3S2

Isomeric SMILES

CCCCNC(=O)OCC1=C2C(=C(C=C1)NCCN(CC)CC)C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C25H33N3O3S/c1-4-7-14-27-25(30)31-17-18-12-13-20(26-15-16-28(5-2)6-3)22-23(29)19-10-8-9-11-21(19)32-24(18)22/h8-13,26H,4-7,14-17H2,1-3H3,(H,27,30)