N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-propoxy-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC

InChI

InChI=1S/C20H21N3O4S2/c1-4-8-27-13-7-5-6-12(9-13)18(24)22-19(28)23-20-21-17-15(26-3)10-14(25-2)11-16(17)29-20/h5-7,9-11H,4,8H2,1-3H3,(H2,21,22,23,24,28)