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

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]butyramide Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S2/c1-16-7-12-19-20(15-26)23(32-21(19)14-16)28-24(31)27-22(29)6-5-13-30-18-10-8-17(9-11-18)25(2,3)4/h8-11,16H,5-7,12-14H2,1-4H3,(H2,27,28,29,31)