1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]-3-(2-methylpropyl)thiourea Openeye Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]-3-isobutyl-thiourea CAS Name: 1-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-ethyl-5-benzimidazolyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]-3-(2-methylpropyl)thiourea Traditional Name: 1-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1-ethyl-benzimidazol-5-yl]-3-isobutyl-thiourea Formula: C21H28N6S2 MolecularWeight: 428.61722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=S)NCC(C)C)N=C1CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=S)NCC(C)C)N=C1CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H28N6S2/c1-6-27-18-8-7-16(25-20(28)22-11-13(2)3)10-17(18)26-19(27)12-29-21-23-14(4)9-15(5)24-21/h7-10,13H,6,11-12H2,1-5H3,(H2,22,25,28)