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

Systemtic Name: 5-(1-benzothiophen-3-ylmethyl)-N-cyclohexyl-3,6-bis(oxidanylidene)-1-(phenylmethyl)piperazine-2-carboxamide Openeye Name: 5-(benzothiophen-3-ylmethyl)-1-benzyl-N-cyclohexyl-3,6-dioxo-piperazine-2-carboxamide CAS Name: 5-(1-benzothiophen-3-ylmethyl)-N-cyclohexyl-3,6-dioxo-1-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 5-(1-benzothiophen-3-ylmethyl)-1-benzyl-N-cyclohexyl-3,6-dioxopiperazine-2-carboxamide Traditional Name: 5-(benzothiophen-3-ylmethyl)-1-benzyl-N-cyclohexyl-3,6-diketo-piperazine-2-carboxamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2C(=O)NC(C(=O)N2CC3=CC=CC=C3)CC4=CSC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)NC(=O)C2C(=O)NC(C(=O)N2CC3=CC=CC=C3)CC4=CSC5=CC=CC=C54

InChI

InChI=1S/C27H29N3O3S/c31-25(28-20-11-5-2-6-12-20)24-26(32)29-22(15-19-17-34-23-14-8-7-13-21(19)23)27(33)30(24)16-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,17,20,22,24H,2,5-6,11-12,15-16H2,(H,28,31)(H,29,32)