methyl 2-[di(butan-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[di(butan-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(disec-butylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[di(butan-2-yl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[di(butan-2-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-(disec-butylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC(C)N(C(C)CC)C(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H28N2O2S2/c1-6-14(3)23(15(4)7-2)21(26)22-19-17(20(24)25-5)13-18(27-19)16-11-9-8-10-12-16/h8-15H,6-7H2,1-5H3,(H,22,26)