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

Systemtic Name: 4-(4-chloranylphenoxy)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]butanamide Openeye Name: 4-(4-chlorophenoxy)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]butanamide CAS Name: 4-(4-chlorophenoxy)-N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-chlorophenoxy)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]butanamide Traditional Name: 4-(4-chlorophenoxy)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]butyramide Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S2/c1-13-4-9-16-17(12-23)20(29-18(16)11-13)25-21(28)24-19(26)3-2-10-27-15-7-5-14(22)6-8-15/h5-8,13H,2-4,9-11H2,1H3,(H2,24,25,26,28)