2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1-cyano-2-phenylmethoxy-ethyl)-3-cyclohexyl-propanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1-cyano-2-phenylmethoxy-ethyl)-3-cyclohexyl-propanamide Openeye Name: N-(2-benzyloxy-1-cyano-ethyl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide CAS Name: N-(1-cyano-2-phenylmethoxyethyl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide IUPAC Name: N-(1-cyano-2-phenylmethoxyethyl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide Traditional Name: N-(2-benzoxy-1-cyano-ethyl)-3-cyclohexyl-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC(COCC2=CC=CC=C2)C#N)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC(COCC2=CC=CC=C2)C#N)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C26H30N4O4S/c27-16-21(18-34-17-20-11-5-2-6-12-20)28-26(31)23(15-19-9-3-1-4-10-19)29-25-22-13-7-8-14-24(22)35(32,33)30-25/h2,5-8,11-14,19,21,23H,1,3-4,9-10,15,17-18H2,(H,28,31)(H,29,30)