N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-phenylsulfanyl-propanamide Openeye Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-phenylsulfanyl-propanamide CAS Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-(phenylthio)propanamide IUPAC Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-phenylsulfanylpropanamide Traditional Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-(phenylthio)propionamide Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)CCSC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=O)CCSC3=CC=CC=C3)C)C

InChI

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