5-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propyl]-2-sulfanylidene-1H-1,5-benzodiazepin-4-one

Systemtic Name: 5-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propyl]-2-sulfanylidene-1H-1,5-benzodiazepin-4-one Openeye Name: 5-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propyl]-2-thioxo-1H-1,5-benzodiazepin-4-one CAS Name: 5-[3-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]propyl]-2-sulfanylidene-1H-1,5-benzodiazepin-4-one IUPAC Name: 5-[3-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-2-sulfanylidene-1H-1,5-benzodiazepin-4-one Traditional Name: 5-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]propyl]-2-thioxo-1H-1,5-benzodiazepin-4-one Formula: C29H31ClN4OS MolecularWeight: 519.10064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)CC(=S)NC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)CC(=S)NC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H31ClN4OS/c30-24-13-11-23(12-14-24)29(22-7-2-1-3-8-22)33-19-17-32(18-20-33)15-6-16-34-26-10-5-4-9-25(26)31-27(36)21-28(34)35/h1-5,7-14,29H,6,15-21H2,(H,31,36)