N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-[(phenylmethylsulfanyl)methyl]benzamide

Systemtic Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-[(phenylmethylsulfanyl)methyl]benzamide Openeye Name: 4-(benzylsulfanylmethyl)-N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzamide CAS Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-4-[(phenylmethylthio)methyl]benzamide IUPAC Name: 4-(benzylsulfanylmethyl)-N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide Traditional Name: 4-[(benzylthio)methyl]-N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzamide Formula: C30H31N3OS MolecularWeight: 481.65164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC=C(C=C3)CSCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=O)C3=CC=C(C=C3)CSCC4=CC=CC=C4)C)C

InChI

InChI=1S/C30H31N3OS/c1-21-10-15-29(22(2)16-21)33-23(3)17-28(24(33)4)18-31-32-30(34)27-13-11-26(12-14-27)20-35-19-25-8-6-5-7-9-25/h5-18H,19-20H2,1-4H3,(H,32,34)/b31-18+