1-(3-chloranyl-2-methyl-phenyl)-3-[2-(4-pyrrol-1-ylphenyl)ethanoylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[2-(4-pyrrol-1-ylphenyl)ethanoylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[1-oxo-2-[4-(1-pyrrolyl)phenyl]ethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]thiourea Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CC2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CC2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C20H19ClN4OS/c1-14-17(21)5-4-6-18(14)22-20(27)24-23-19(26)13-15-7-9-16(10-8-15)25-11-2-3-12-25/h2-12H,13H2,1H3,(H,23,26)(H2,22,24,27)