4-(4-chloranylphenoxy)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]butanamide

Systemtic Name: 4-(4-chloranylphenoxy)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]butanamide Openeye Name: 4-(4-chlorophenoxy)-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]butanamide CAS Name: 4-(4-chlorophenoxy)-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-chlorophenoxy)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]butanamide Traditional Name: 4-(4-chlorophenoxy)-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]butyramide Formula: C20H20ClN3O2S2 MolecularWeight: 433.9747

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H20ClN3O2S2/c21-13-7-9-14(10-8-13)26-11-3-6-18(25)23-20(27)24-19-16(12-22)15-4-1-2-5-17(15)28-19/h7-10H,1-6,11H2,(H2,23,24,25,27)