(E)-N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C18H14ClN3O2S2 MolecularWeight: 403.90566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O2S2/c1-24-14-10-15-13(9-12(14)19)20-18(26-15)22-17(25)21-16(23)8-7-11-5-3-2-4-6-11/h2-10H,1H3,(H2,20,21,22,23,25)/b8-7+