N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C19H18ClN3O5S2 MolecularWeight: 467.94632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=NC3=CC(=C(C=C3S2)OC)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=NC3=CC(=C(C=C3S2)OC)Cl

InChI

InChI=1S/C19H18ClN3O5S2/c1-25-12-8-15-11(7-10(12)20)21-19(30-15)23-18(29)22-17(24)9-5-13(26-2)16(28-4)14(6-9)27-3/h5-8H,1-4H3,(H2,21,22,23,24,29)