1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea CAS Name: 1-[4-[6-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-1H-benzimidazol-2-yl]phenyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)thiocarbamoylamino]-1H-benzimidazol-2-yl]phenyl]thiourea Formula: C29H26N6O2S2 MolecularWeight: 554.68574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)NC(=S)NC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)NC(=S)NC5=CC=C(C=C5)OC

InChI

InChI=1S/C29H26N6O2S2/c1-36-23-12-7-20(8-13-23)31-28(38)30-19-5-3-18(4-6-19)27-34-25-16-11-22(17-26(25)35-27)33-29(39)32-21-9-14-24(37-2)15-10-21/h3-17H,1-2H3,(H,34,35)(H2,30,31,38)(H2,32,33,39)