N-[(6-oxidanyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[(6-oxidanyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[(6-hydroxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[(6-hydroxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(6-hydroxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-propoxy-benzamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)O

InChI

InChI=1S/C18H17N3O3S2/c1-2-8-24-13-5-3-4-11(9-13)16(23)20-17(25)21-18-19-14-7-6-12(22)10-15(14)26-18/h3-7,9-10,22H,2,8H2,1H3,(H2,19,20,21,23,25)