7-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(1-naphthoyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54)NC1=O

InChI

InChI=1S/C25H23N3O3S/c29-23-10-15-32-22-9-8-18(16-21(22)26-23)24(30)27-11-13-28(14-12-27)25(31)20-7-3-5-17-4-1-2-6-19(17)20/h1-9,16H,10-15H2,(H,26,29)