1-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]amino]-3-(4-methoxyphenyl)thiourea Formula: C23H21N5O2S2 MolecularWeight: 463.57514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H21N5O2S2/c1-30-18-12-10-17(11-13-18)24-22(31)28-27-21(29)16-8-6-15(7-9-16)14-32-23-25-19-4-2-3-5-20(19)26-23/h2-13H,14H2,1H3,(H,25,26)(H,27,29)(H2,24,28,31)