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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C(=O)C(C1=S)N3CCNCC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C(=O)C(C1=S)N3CCNCC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H31ClN4OS/c1-2-18-33-24-10-6-7-11-25(24)34(28(35)27(29(33)36)32-19-16-31-17-20-32)26(21-8-4-3-5-9-21)22-12-14-23(30)15-13-22/h3-15,26-27,31H,2,16-20H2,1H3