1-[(E)-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methyleneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxy-benzylidene]amino]-3-phenyl-thiourea Formula: C23H21N5OS2 MolecularWeight: 447.57574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=S)NC2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=S)NC2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H21N5OS2/c1-29-21-12-11-16(14-24-28-22(30)25-18-7-3-2-4-8-18)13-17(21)15-31-23-26-19-9-5-6-10-20(19)27-23/h2-14H,15H2,1H3,(H,26,27)(H2,25,28,30)/b24-14+