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

Systemtic Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

InChI

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