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

Systemtic Name: N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C23H18ClN3O3S2 MolecularWeight: 483.99032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H18ClN3O3S2/c1-29-19-12-20-18(11-17(19)24)25-23(32-20)27-22(31)26-21(28)15-8-5-9-16(10-15)30-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,25,26,27,28,31)