N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[(Z)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methylideneamino]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[(Z)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-2-(8-quinolylthio)acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=NNC(=O)CSC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=N\NC(=O)CSC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-15(2)13-26-16(3)11-19(17(26)4)12-24-25-21(27)14-28-20-9-5-7-18-8-6-10-23-22(18)20/h5-12,15H,13-14H2,1-4H3,(H,25,27)/b24-12-