1-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-3-phenyl-thiourea

Systemtic Name: 1-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-3-phenyl-thiourea Openeye Name: 1-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-3-phenyl-thiourea CAS Name: 1-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]-3-phenylthiourea IUPAC Name: 1-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-3-phenylthiourea Traditional Name: 1-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]-3-phenyl-thiourea Formula: C21H20N6S2 MolecularWeight: 420.5537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C21H20N6S2/c1-14-10-11-22-21(23-14)29-13-19-26-17-12-16(8-9-18(17)27(19)2)25-20(28)24-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,24,25,28)