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

Systemtic Name: 1-[(E)-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-methoxy-benzylidene]amino]thiourea Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=S)NCC=C)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=S)NCC=C)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H21N5OS2/c1-3-10-21-19(27)25-22-12-14-8-9-18(26-2)15(11-14)13-28-20-23-16-6-4-5-7-17(16)24-20/h3-9,11-12H,1,10,13H2,2H3,(H,23,24)(H2,21,25,27)/b22-12+