7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(4-benzylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(4-benzylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-benzylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)NC1=O

InChI

InChI=1S/C21H23N3O2S/c25-20-8-13-27-19-7-6-17(14-18(19)22-20)21(26)24-11-9-23(10-12-24)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,22,25)