4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2,5-dimethoxyphenyl)benzamide

Systemtic Name: 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2,5-dimethoxyphenyl)benzamide Openeye Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2,5-dimethoxyphenyl)benzamide CAS Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-N-(2,5-dimethoxyphenyl)benzamide IUPAC Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2,5-dimethoxyphenyl)benzamide Traditional Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-N-(2,5-dimethoxyphenyl)benzamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)N

InChI

InChI=1S/C18H18N4O3S2/c1-24-13-7-8-15(25-2)14(9-13)20-16(23)12-5-3-11(4-6-12)10-26-18-22-21-17(19)27-18/h3-9H,10H2,1-2H3,(H2,19,21)(H,20,23)