5-(1-benzothiophen-3-ylmethyl)-3,6-bis(oxidanylidene)-N-(phenylmethyl)-1-propyl-piperazine-2-carboxamide

Systemtic Name: 5-(1-benzothiophen-3-ylmethyl)-3,6-bis(oxidanylidene)-N-(phenylmethyl)-1-propyl-piperazine-2-carboxamide Openeye Name: 5-(benzothiophen-3-ylmethyl)-N-benzyl-3,6-dioxo-1-propyl-piperazine-2-carboxamide CAS Name: 5-(1-benzothiophen-3-ylmethyl)-3,6-dioxo-N-(phenylmethyl)-1-propyl-2-piperazinecarboxamide IUPAC Name: 5-(1-benzothiophen-3-ylmethyl)-N-benzyl-3,6-dioxo-1-propylpiperazine-2-carboxamide Traditional Name: 5-(benzothiophen-3-ylmethyl)-N-benzyl-3,6-diketo-1-propyl-piperazine-2-carboxamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(=O)NC(C1=O)CC2=CSC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCCN1C(C(=O)NC(C1=O)CC2=CSC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c1-2-12-27-21(22(28)25-14-16-8-4-3-5-9-16)23(29)26-19(24(27)30)13-17-15-31-20-11-7-6-10-18(17)20/h3-11,15,19,21H,2,12-14H2,1H3,(H,25,28)(H,26,29)