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

Systemtic Name: 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(2-thienylmethyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(2-thenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CS4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CS4)NC1=O

InChI

InChI=1S/C19H21N3O2S2/c23-18-5-11-26-17-4-3-14(12-16(17)20-18)19(24)22-8-6-21(7-9-22)13-15-2-1-10-25-15/h1-4,10,12H,5-9,11,13H2,(H,20,23)