4-methyl-2-(octylcarbamoylamino)-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-2-(octylcarbamoylamino)-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylic acid Openeye Name: 5-(benzylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(octylamino)-oxomethyl]amino]-5-[oxo-[(phenylmethyl)amino]methyl]-3-thiophenecarboxylic acid IUPAC Name: 5-(benzylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)thiophene-3-carboxylic acid Traditional Name: 5-(benzylcarbamoyl)-4-methyl-2-(octylcarbamoylamino)-3-thenoic acid Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=C(C(=C(S1)C(=O)NCC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C23H31N3O4S/c1-3-4-5-6-7-11-14-24-23(30)26-21-18(22(28)29)16(2)19(31-21)20(27)25-15-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-15H2,1-2H3,(H,25,27)(H,28,29)(H2,24,26,30)