(6S)-2-[(4-ethylphenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-[(4-ethylphenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(4-ethylbenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(4-ethylbenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[(4-ethylbenzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)C[C@H](CC3)C)C(=O)N

InChI

InChI=1S/C20H23N3O2S2/c1-3-12-5-7-13(8-6-12)18(25)22-20(26)23-19-16(17(21)24)14-9-4-11(2)10-15(14)27-19/h5-8,11H,3-4,9-10H2,1-2H3,(H2,21,24)(H2,22,23,25,26)/t11-/m0/s1