N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]cyclohexanecarboxamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]cyclohexanecarboxamide Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O2S/c19-16(22)11-12-21(13-14-7-3-1-4-8-14)18(24)20-17(23)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H2,19,22)(H,20,23,24)