(E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18N4O3S2/c1-12(25)21-14-6-9-16-17(11-14)29-20(22-16)24-19(28)23-18(26)10-5-13-3-7-15(27-2)8-4-13/h3-11H,1-2H3,(H,21,25)(H2,22,23,24,26,28)/b10-5+