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

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-cyclohexyl-propanamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-3-cyclohexyl-propanamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-3-cyclohexylpropanamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3-cyclohexylpropanamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-3-cyclohexyl-propionamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c21-18(24)13-14-23(15-17-9-5-2-6-10-17)20(26)22-19(25)12-11-16-7-3-1-4-8-16/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H2,21,24)(H,22,25,26)