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

Systemtic Name: 1-(4-ethanoylphenyl)-3-[4-[6-[(4-ethanoylphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea Openeye Name: 1-(4-acetylphenyl)-3-[4-[6-[(4-acetylphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea CAS Name: 1-[4-[6-[[(4-acetylanilino)-sulfanylidenemethyl]amino]-1H-benzimidazol-2-yl]phenyl]-3-(4-acetylphenyl)thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[4-[6-[(4-acetylphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[4-[6-[(4-acetylphenyl)thiocarbamoylamino]-1H-benzimidazol-2-yl]phenyl]thiourea Formula: C31H26N6O2S2 MolecularWeight: 578.70714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=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)C(=O)C

Isomeric SMILES

CC(=O)C1=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)C(=O)C

InChI

InChI=1S/C31H26N6O2S2/c1-18(38)20-3-9-23(10-4-20)32-30(40)33-25-13-7-22(8-14-25)29-36-27-16-15-26(17-28(27)37-29)35-31(41)34-24-11-5-21(6-12-24)19(2)39/h3-17H,1-2H3,(H,36,37)(H2,32,33,40)(H2,34,35,41)