(6S)-6-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-6-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-methyl-2-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-methyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-6-methyl-2-[[(E)-3-phenylacryloyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-12-7-9-14-15(11-12)27-19(17(14)18(21)25)23-20(26)22-16(24)10-8-13-5-3-2-4-6-13/h2-6,8,10,12H,7,9,11H2,1H3,(H2,21,25)(H2,22,23,24,26)/b10-8+/t12-/m0/s1