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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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