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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-cyano-1-pentan-3-yl-pyrrolidin-3-yl)-3-cyclohexyl-propanamide Openeye Name: N-[3-cyano-1-(1-ethylpropyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide CAS Name: N-(3-cyano-1-pentan-3-yl-3-pyrrolidinyl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide IUPAC Name: N-(3-cyano-1-pentan-3-ylpyrrolidin-3-yl)-3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide Traditional Name: N-[3-cyano-1-(1-ethylpropyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionamide Formula: C26H37N5O3S MolecularWeight: 499.66868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCC(C1)(C#N)NC(=O)C(CC2CCCCC2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CCC(CC)N1CCC(C1)(C#N)NC(=O)C(CC2CCCCC2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C26H37N5O3S/c1-3-20(4-2)31-15-14-26(17-27,18-31)29-25(32)22(16-19-10-6-5-7-11-19)28-24-21-12-8-9-13-23(21)35(33,34)30-24/h8-9,12-13,19-20,22H,3-7,10-11,14-16,18H2,1-2H3,(H,28,30)(H,29,32)