methyl 5-methyl-4-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(3-phenylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(3-phenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCCCC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCCCC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O2S2/c1-16-19(18-13-7-4-8-14-18)20(22(26)27-2)21(29-16)25-23(28)24-15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14H,9,12,15H2,1-2H3,(H2,24,25,28)