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

Systemtic Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]-3-propoxy-benzamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H23N3O4S2/c1-4-10-29-16-7-5-6-15(11-16)20(26)24-21(30)25-22-23-17(13-31-22)14-8-9-18(27-2)19(12-14)28-3/h5-9,11-13H,4,10H2,1-3H3,(H2,23,24,25,26,30)