2-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C18H18ClN3O2S2/c19-11-7-5-10(6-8-11)9-14(23)21-18(25)22-17-15(16(20)24)12-3-1-2-4-13(12)26-17/h5-8H,1-4,9H2,(H2,20,24)(H2,21,22,23,25)