methyl 6-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylcarbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[4-(2,4-ditert-amylphenoxy)butylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C31H41ClN2O3S2 MolecularWeight: 589.25184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C(C)(C)CC

InChI

InChI=1S/C31H41ClN2O3S2/c1-8-30(3,4)20-12-15-24(23(18-20)31(5,6)9-2)37-17-11-10-16-33-29(38)34-21-13-14-22-25(19-21)39-27(26(22)32)28(35)36-7/h12-15,18-19H,8-11,16-17H2,1-7H3,(H2,33,34,38)