N-[4-oxidanylidene-4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]butyl]thiophene-3-carboxamide Openeye Name: N-[4-oxo-4-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]amino]butyl]thiophene-3-carboxamide CAS Name: N-[4-oxo-4-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]butyl]-3-thiophenecarboxamide IUPAC Name: N-[4-oxo-4-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]amino]butyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-[[6-(3-ketopiperazino)-3-pyridyl]amino]butyl]thiophene-3-carboxamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C18H21N5O3S/c24-16(2-1-6-20-18(26)13-5-9-27-12-13)22-14-3-4-15(21-10-14)23-8-7-19-17(25)11-23/h3-5,9-10,12H,1-2,6-8,11H2,(H,19,25)(H,20,26)(H,22,24)