methyl 5-(diethylcarbamoyl)-4-methyl-2-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H30N4O4S2 MolecularWeight: 538.6815

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C27H30N4O4S2/c1-5-31(6-2)25(33)22-17(3)21(26(34)35-4)24(37-22)30-27(36)29-20-14-10-13-19(15-20)23(32)28-16-18-11-8-7-9-12-18/h7-15H,5-6,16H2,1-4H3,(H,28,32)(H2,29,30,36)