4-[[3-[(3-aminophenyl)methylcarbamoyl]-5-ethyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[3-[(3-aminophenyl)methylcarbamoyl]-5-ethyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-[(3-aminophenyl)methylcarbamoyl]-5-ethyl-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[[3-[[(3-aminophenyl)methylamino]-oxomethyl]-5-ethyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-[(3-aminophenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-[(3-aminobenzyl)carbamoyl]-5-ethyl-2-thienyl]carbamoyl]cyclohexanecarboxylic acid Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)O)C(=O)NCC3=CC(=CC=C3)N

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2CCC(CC2)C(=O)O)C(=O)NCC3=CC(=CC=C3)N

InChI

InChI=1S/C22H27N3O4S/c1-2-17-11-18(20(27)24-12-13-4-3-5-16(23)10-13)21(30-17)25-19(26)14-6-8-15(9-7-14)22(28)29/h3-5,10-11,14-15H,2,6-9,12,23H2,1H3,(H,24,27)(H,25,26)(H,28,29)