4-chloranyl-N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]butyramide Formula: C16H18ClN3O3S2 MolecularWeight: 399.91542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)CCCCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)CCCCl)OC

InChI

InChI=1S/C16H18ClN3O3S2/c1-22-12-6-5-10(8-13(12)23-2)11-9-25-16(18-11)20-15(24)19-14(21)4-3-7-17/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,19,20,21,24)