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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CCNC(=O)C2=CSC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CCNC(=O)C2=CSC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2S/c27-21(7-10-24-22(28)20-8-16-29-18-20)23-9-4-11-25-12-14-26(15-13-25)17-19-5-2-1-3-6-19/h1-3,5-6,8,16,18H,4,7,9-15,17H2,(H,23,27)(H,24,28)