N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxidanylidene-isothiochromene-3-carboxamide

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxidanylidene-isothiochromene-3-carboxamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-oxo-isothiochromene-3-carboxamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxo-2-benzothiopyran-3-carboxamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxoisothiochromene-3-carboxamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-keto-isothiochromene-3-carboxamide Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C16H15N3O2S2/c1-9(2)7-13-18-19-16(23-13)17-14(20)12-8-10-5-3-4-6-11(10)15(21)22-12/h3-6,8-9H,7H2,1-2H3,(H,17,19,20)