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

Systemtic Name: 2-[[[3-chloranyl-2-(4-dimethylaminophenyl)-4-oxidanylidene-azetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Openeye Name: 2-[[[3-chloro-2-(4-dimethylaminophenyl)-4-oxo-azetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one CAS Name: 2-[[[3-chloro-2-(4-dimethylaminophenyl)-4-oxo-1-azetidinyl]amino]methyl]-5H-1,5-benzothiazepin-4-one IUPAC Name: 2-[[[3-chloro-2-(4-dimethylaminophenyl)-4-oxoazetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Traditional Name: 2-[[[3-chloro-2-(4-dimethylaminophenyl)-4-keto-azetidin-1-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(C(=O)N2NCC3=CC(=O)NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2C(C(=O)N2NCC3=CC(=O)NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-25(2)14-9-7-13(8-10-14)20-19(22)21(28)26(20)23-12-15-11-18(27)24-16-5-3-4-6-17(16)29-15/h3-11,19-20,23H,12H2,1-2H3,(H,24,27)