4-chloranyl-N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxidanylidene-butyl]benzamide

Systemtic Name: 4-chloranyl-N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxidanylidene-butyl]benzamide Openeye Name: 4-chloro-N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxo-butyl]benzamide CAS Name: 4-chloro-N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]benzamide IUPAC Name: 4-chloro-N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]benzamide Traditional Name: 4-chloro-N-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-keto-butyl]benzamide Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O2S/c21-16-10-8-15(9-11-16)20(25)22-12-3-7-19(24)23-13-4-14-26-18-6-2-1-5-17(18)23/h1-2,5-6,8-11H,3-4,7,12-14H2,(H,22,25)