1-propyl-3-[2-[2-[6-(propylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]thiourea

Systemtic Name: 1-propyl-3-[2-[2-[6-(propylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]thiourea Openeye Name: 1-propyl-3-[2-[2-[6-(propylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]thiourea CAS Name: 1-propyl-3-[2-[2-[6-[[propylamino(sulfanylidene)methyl]amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]thiourea IUPAC Name: 1-propyl-3-[2-[2-[6-(propylcarbamothioylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]thiourea Traditional Name: 1-propyl-3-[2-[2-[6-(propylthiocarbamoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]thiourea Formula: C28H30N8S2 MolecularWeight: 542.7214

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3C4=NC5=C(N4)C=C(C=C5)NC(=S)NCCC

Isomeric SMILES

CCCNC(=S)NC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3C4=NC5=C(N4)C=C(C=C5)NC(=S)NCCC

InChI

InChI=1S/C28H30N8S2/c1-3-13-29-27(37)31-17-9-11-21-23(15-17)35-25(33-21)19-7-5-6-8-20(19)26-34-22-12-10-18(16-24(22)36-26)32-28(38)30-14-4-2/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,33,35)(H,34,36)(H2,29,31,37)(H2,30,32,38)