3-[(1-carbamimidoylpiperidin-4-yl)-(2,4-dichlorophenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(1-carbamimidoylpiperidin-4-yl)-(2,4-dichlorophenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-carbamimidoyl-4-piperidyl)-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(1-carbamimidoyl-4-piperidinyl)-[(2,4-dichlorophenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(1-carbamimidoylpiperidin-4-yl)-(2,4-dichlorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-amidino-4-piperidyl)-(2,4-dichlorobenzoyl)amino]-5-phenyl-2-thenoic acid Formula: C24H22Cl2N4O3S MolecularWeight: 517.42748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=N)N

Isomeric SMILES

C1CN(CCC1N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=N)N

InChI

InChI=1S/C24H22Cl2N4O3S/c25-15-6-7-17(18(26)12-15)22(31)30(16-8-10-29(11-9-16)24(27)28)19-13-20(34-21(19)23(32)33)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2,(H3,27,28)(H,32,33)