methyl 2-[(4-butoxycarbonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-butoxycarbonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(4-butoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[butoxy(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-butoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-butoxycarbonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H26N2O4S2/c1-3-4-14-31-23(28)18-10-12-19(13-11-18)26-25(32)27-22-21(24(29)30-2)16-20(33-22)15-17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H2,26,27,32)