4-(1-aminocarbonylpiperidin-4-yl)piperidine-1-carboxamide; 2-[(1-azanylisoquinolin-7-yl)carbonyl-thiophen-2-yl-amino]ethanoic acid

Systemtic Name: 4-(1-aminocarbonylpiperidin-4-yl)piperidine-1-carboxamide; 2-[(1-azanylisoquinolin-7-yl)carbonyl-thiophen-2-yl-amino]ethanoic acid Openeye Name: 2-[(1-aminoisoquinoline-7-carbonyl)-(2-thienyl)amino]acetic acid; 4-(1-carbamoyl-4-piperidyl)piperidine-1-carboxamide CAS Name: 2-[[(1-amino-7-isoquinolinyl)-oxomethyl]-thiophen-2-ylamino]acetic acid; 4-(1-carbamoyl-4-piperidinyl)-1-piperidinecarboxamide IUPAC Name: 2-[(1-aminoisoquinoline-7-carbonyl)-thiophen-2-ylamino]acetic acid; 4-(1-carbamoylpiperidin-4-yl)piperidine-1-carboxamide Traditional Name: 2-[(1-aminoisoquinoline-7-carbonyl)-(2-thienyl)amino]acetic acid; 4-(1-carbamoyl-4-piperidyl)piperidine-1-carboxamide Formula: C28H35N7O5S MolecularWeight: 581.6864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)C(=O)N)C(=O)N.C1=CSC(=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)C=CN=C3N

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)C(=O)N)C(=O)N.C1=CSC(=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)C=CN=C3N

InChI

InChI=1S/C16H13N3O3S.C12H22N4O2/c17-15-12-8-11(4-3-10(12)5-6-18-15)16(22)19(9-14(20)21)13-2-1-7-23-13;13-11(17)15-5-1-9(2-6-15)10-3-7-16(8-4-10)12(14)18/h1-8H,9H2,(H2,17,18)(H,20,21);9-10H,1-8H2,(H2,13,17)(H2,14,18)