2-[[[2-(4-dimethylaminophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one

Systemtic Name: 2-[[[2-(4-dimethylaminophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Openeye Name: 2-[[[2-(4-dimethylaminophenyl)-4-oxo-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one CAS Name: 2-[[[2-(4-dimethylaminophenyl)-4-oxo-3-thiazolidinyl]amino]methyl]-5H-1,5-benzothiazepin-4-one IUPAC Name: 2-[[[2-(4-dimethylaminophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Traditional Name: 2-[[[2-(4-dimethylaminophenyl)-4-keto-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)NCC3=CC(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)NCC3=CC(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O2S2/c1-24(2)15-9-7-14(8-10-15)21-25(20(27)13-28-21)22-12-16-11-19(26)23-17-5-3-4-6-18(17)29-16/h3-11,21-22H,12-13H2,1-2H3,(H,23,26)