N-[1-oxidanylidene-1-[3-[4-(phenylmethyl)piperazin-1-yl]propylamino]propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-oxidanylidene-1-[3-[4-(phenylmethyl)piperazin-1-yl]propylamino]propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-[3-(4-benzylpiperazin-1-yl)propylamino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[1-oxo-1-[3-[4-(phenylmethyl)-1-piperazinyl]propylamino]propan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-[3-(4-benzylpiperazino)propylamino]-2-keto-1-methyl-ethyl]thiophene-2-carboxamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NCCCN1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H30N4O2S/c1-18(24-22(28)20-9-5-16-29-20)21(27)23-10-6-11-25-12-14-26(15-13-25)17-19-7-3-2-4-8-19/h2-5,7-9,16,18H,6,10-15,17H2,1H3,(H,23,27)(H,24,28)