4-[2-(3-methylphenyl)imino-3-[(2S)-1-oxidanylidene-4-phenyl-1-piperazin-1-yl-butan-2-yl]-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(3-methylphenyl)imino-3-[(2S)-1-oxidanylidene-4-phenyl-1-piperazin-1-yl-butan-2-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(m-tolylimino)-3-[(1S)-3-phenyl-1-(piperazine-1-carbonyl)propyl]thiazol-4-yl]benzonitrile CAS Name: 4-[2-(3-methylphenyl)imino-3-[(2S)-1-oxo-4-phenyl-1-(1-piperazinyl)butan-2-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-(3-methylphenyl)imino-3-[(2S)-1-oxo-4-phenyl-1-piperazin-1-ylbutan-2-yl]-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-(m-tolylimino)-3-[(1S)-3-phenyl-1-(piperazine-1-carbonyl)propyl]-4-thiazolin-4-yl]benzonitrile Formula: C31H31N5OS MolecularWeight: 521.67574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)C#N)C(CCC4=CC=CC=C4)C(=O)N5CCNCC5

Isomeric SMILES

CC1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)C#N)[C@@H](CCC4=CC=CC=C4)C(=O)N5CCNCC5

InChI

InChI=1S/C31H31N5OS/c1-23-6-5-9-27(20-23)34-31-36(29(22-38-31)26-13-10-25(21-32)11-14-26)28(15-12-24-7-3-2-4-8-24)30(37)35-18-16-33-17-19-35/h2-11,13-14,20,22,28,33H,12,15-19H2,1H3/t28-/m0/s1