1-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]-3-[2-(4-methoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]-3-[2-(4-methoxyphenyl)ethyl]thiourea Openeye Name: 1-[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]-3-[2-(4-methoxyphenyl)ethyl]thiourea CAS Name: 1-[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]-3-[2-(4-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-[2-(4-methoxyphenyl)ethyl]thiourea Traditional Name: 1-[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]-3-[2-(4-methoxyphenyl)ethyl]thiourea Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NCCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NCCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H25N5O2S/c1-4-26-14(2)23-18-13-16(7-10-19(18)26)20(27)24-25-21(29)22-12-11-15-5-8-17(28-3)9-6-15/h5-10,13H,4,11-12H2,1-3H3,(H,24,27)(H2,22,25,29)