N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-piperonylamide Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H15N3O3S2/c1-9-5-10(2)15-14(6-9)26-18(19-15)21-17(25)20-16(22)11-3-4-12-13(7-11)24-8-23-12/h3-7H,8H2,1-2H3,(H2,19,20,21,22,25)