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

Systemtic Name: 1-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]thiourea CAS Name: 1-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]-3-prop-2-enylthiourea IUPAC Name: 1-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]thiourea Formula: C18H20N6S2 MolecularWeight: 384.5216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6S2/c1-4-8-19-17(25)22-13-5-6-15-14(10-13)23-16(24(15)3)11-26-18-20-9-7-12(2)21-18/h4-7,9-10H,1,8,11H2,2-3H3,(H2,19,22,25)