N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-oxidanylidene-isothiochromene-3-carboxamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-oxidanylidene-isothiochromene-3-carboxamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-oxo-isothiochromene-3-carboxamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-oxo-2-benzothiopyran-3-carboxamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-oxoisothiochromene-3-carboxamide Traditional Name: N-(5-butyl-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:

CCCCC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C16H15N3O2S2/c1-2-3-8-13-18-19-16(23-13)17-14(20)12-9-10-6-4-5-7-11(10)15(21)22-12/h4-7,9H,2-3,8H2,1H3,(H,17,19,20)