2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxo-ethyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-(1-benzotriazolyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-keto-ethyl]-N-(2-thenyl)acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN(CC2=CC=CS2)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(CC1)NC(=O)CN(CC2=CC=CS2)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H25N5O2S/c27-20(22-16-7-2-1-3-8-16)14-25(13-17-9-6-12-29-17)21(28)15-26-19-11-5-4-10-18(19)23-24-26/h4-6,9-12,16H,1-3,7-8,13-15H2,(H,22,27)