N-[(E)-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[(E)-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-4-pyrrol-1-yl-benzamide Openeye Name: N-[(E)-[3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methyleneamino]-4-pyrrol-1-yl-benzamide CAS Name: N-[(E)-[3-[(4,5-dihydrothiazol-2-ylthio)methyl]-4-methoxyphenyl]methylideneamino]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[(E)-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-pyrrol-1-ylbenzamide Traditional Name: N-[(E)-[4-methoxy-3-[(2-thiazolin-2-ylthio)methyl]benzylidene]amino]-4-pyrrol-1-yl-benzamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)N3C=CC=C3)CSC4=NCCS4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)N3C=CC=C3)CSC4=NCCS4

InChI

InChI=1S/C23H22N4O2S2/c1-29-21-9-4-17(14-19(21)16-31-23-24-10-13-30-23)15-25-26-22(28)18-5-7-20(8-6-18)27-11-2-3-12-27/h2-9,11-12,14-15H,10,13,16H2,1H3,(H,26,28)/b25-15+