N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H33N5O5S2 MolecularWeight: 511.65792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)N

InChI

InChI=1S/C22H33N5O5S2/c1-3-5-11-26(18-19(23)27(12-6-4-2)22(30)24-20(18)28)21(29)16-9-13-25(14-10-16)34(31,32)17-8-7-15-33-17/h7-8,15-16H,3-6,9-14,23H2,1-2H3,(H,24,28,30)