1-(3-chloranyl-2-methyl-phenyl)-3-[3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoylamino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[1-oxo-3-(2-oxo-3-propyl-1-benzimidazolyl)propyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[3-(2-keto-3-propyl-benzimidazol-1-yl)propanoylamino]thiourea Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NNC(=S)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NNC(=S)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C21H24ClN5O2S/c1-3-12-26-17-9-4-5-10-18(17)27(21(26)29)13-11-19(28)24-25-20(30)23-16-8-6-7-15(22)14(16)2/h4-10H,3,11-13H2,1-2H3,(H,24,28)(H2,23,25,30)