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

Systemtic Name: N-[(E)-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[(E)-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]acetamide CAS Name: N-[(E)-[1-(3,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[(E)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide Traditional Name: 2-(benzylthio)-N-[(E)-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]acetamide Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=NNC(=O)CSCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=CC(=C2C)/C=N/NC(=O)CSCC3=CC=CC=C3)C)C

InChI

InChI=1S/C24H27N3OS/c1-17-10-18(2)12-23(11-17)27-19(3)13-22(20(27)4)14-25-26-24(28)16-29-15-21-8-6-5-7-9-21/h5-14H,15-16H2,1-4H3,(H,26,28)/b25-14+