N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[4-(4-ethoxyphenyl)thiazol-2-yl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[[4-(4-ethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: 3,5-dimethoxy-N-[(4-p-phenetylthiazol-2-yl)thiocarbamoyl]benzamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H21N3O4S2/c1-4-28-15-7-5-13(6-8-15)18-12-30-21(22-18)24-20(29)23-19(25)14-9-16(26-2)11-17(10-14)27-3/h5-12H,4H2,1-3H3,(H2,22,23,24,25,29)