ethyl 1-[[4-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]methyl]piperidine-2-carboxylate

Systemtic Name: ethyl 1-[[4-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]methyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[[4-(4-carbamoyl-5-ureido-2-thienyl)phenyl]methyl]piperidine-2-carboxylate CAS Name: 1-[[4-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenyl]methyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methyl]piperidine-2-carboxylate Traditional Name: 1-[4-(4-carbamoyl-5-ureido-2-thienyl)benzyl]pipecolinic acid ethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1CC2=CC=C(C=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N

Isomeric SMILES

CCOC(=O)C1CCCCN1CC2=CC=C(C=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N

InChI

InChI=1S/C21H26N4O4S/c1-2-29-20(27)16-5-3-4-10-25(16)12-13-6-8-14(9-7-13)17-11-15(18(22)26)19(30-17)24-21(23)28/h6-9,11,16H,2-5,10,12H2,1H3,(H2,22,26)(H3,23,24,28)