4-chloranyl-N-[(E)-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[(E)-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide Openeye Name: 4-chloro-N-[(E)-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide CAS Name: 4-chloro-N-[[(E)-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[(E)-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide Traditional Name: 4-chloro-N-[(E)-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiocarbamoyl]benzamide Formula: C17H14ClN3O2S2 MolecularWeight: 391.89496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=C2SC1=NC(=S)NC(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

CN\1C2=C(C=CC=C2S/C1=N/C(=S)NC(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C17H14ClN3O2S2/c1-21-14-12(23-2)4-3-5-13(14)25-17(21)20-16(24)19-15(22)10-6-8-11(18)9-7-10/h3-9H,1-2H3,(H,19,22,24)/b20-17+