1-(2-methylprop-2-enyl)-3-[4-[6-(2-methylprop-2-enylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]thiourea

Systemtic Name: 1-(2-methylprop-2-enyl)-3-[4-[6-(2-methylprop-2-enylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]thiourea Openeye Name: 1-(2-methylallyl)-3-[4-[6-(2-methylallylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]thiourea CAS Name: 1-(2-methylprop-2-enyl)-3-[4-[6-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]-1H-benzimidazol-2-yl]phenyl]thiourea IUPAC Name: 1-(2-methylprop-2-enyl)-3-[4-[6-(2-methylprop-2-enylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]thiourea Traditional Name: 1-(2-methylallyl)-3-[4-[6-(2-methylallylthiocarbamoylamino)-1H-benzimidazol-2-yl]phenyl]thiourea Formula: C23H26N6S2 MolecularWeight: 450.62274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)NC(=S)NCC(=C)C

Isomeric SMILES

CC(=C)CNC(=S)NC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)NC(=S)NCC(=C)C

InChI

InChI=1S/C23H26N6S2/c1-14(2)12-24-22(30)26-17-7-5-16(6-8-17)21-28-19-10-9-18(11-20(19)29-21)27-23(31)25-13-15(3)4/h5-11H,1,3,12-13H2,2,4H3,(H,28,29)(H2,24,26,30)(H2,25,27,31)