N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-iodanyl-benzamide

Systemtic Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]-3-iodo-benzamide CAS Name: N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-iodobenzamide Traditional Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]-3-iodo-benzamide Formula: C19H16IN3O3S2 MolecularWeight: 525.38311

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)I)OC

InChI

InChI=1S/C19H16IN3O3S2/c1-25-15-7-6-11(9-16(15)26-2)14-10-28-19(21-14)23-18(27)22-17(24)12-4-3-5-13(20)8-12/h3-10H,1-2H3,(H2,21,22,23,24,27)