(E)-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C20H19N3OS2 MolecularWeight: 381.51436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H19N3OS2/c1-13-7-9-15-16(12-21)19(26-17(15)11-13)23-20(25)22-18(24)10-8-14-5-3-2-4-6-14/h2-6,8,10,13H,7,9,11H2,1H3,(H2,22,23,24,25)/b10-8+/t13-/m0/s1