N-cyano-5-[[5-(cyanoamino)-4-methyl-5-oxidanylidene-4-phenyl-pentyl]carbamothioylamino]-2-methyl-2-phenyl-pentanamide

Systemtic Name: N-cyano-5-[[5-(cyanoamino)-4-methyl-5-oxidanylidene-4-phenyl-pentyl]carbamothioylamino]-2-methyl-2-phenyl-pentanamide Openeye Name: N-cyano-5-[[5-(cyanoamino)-4-methyl-5-oxo-4-phenyl-pentyl]carbamothioylamino]-2-methyl-2-phenyl-pentanamide CAS Name: N-cyano-5-[[[[5-(cyanoamino)-4-methyl-5-oxo-4-phenylpentyl]amino]-sulfanylidenemethyl]amino]-2-methyl-2-phenylpentanamide IUPAC Name: N-cyano-5-[[5-(cyanoamino)-4-methyl-5-oxo-4-phenylpentyl]carbamothioylamino]-2-methyl-2-phenylpentanamide Traditional Name: N-cyano-5-[[5-(cyanoamino)-5-keto-4-methyl-4-phenyl-pentyl]thiocarbamoylamino]-2-methyl-2-phenyl-valeramide Formula: C27H32N6O2S MolecularWeight: 504.64698

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC(=S)NCCCC(C)(C1=CC=CC=C1)C(=O)NC#N)(C2=CC=CC=C2)C(=O)NC#N

Isomeric SMILES

CC(CCCNC(=S)NCCCC(C)(C1=CC=CC=C1)C(=O)NC#N)(C2=CC=CC=C2)C(=O)NC#N

InChI

InChI=1S/C27H32N6O2S/c1-26(23(34)32-19-28,21-11-5-3-6-12-21)15-9-17-30-25(36)31-18-10-16-27(2,24(35)33-20-29)22-13-7-4-8-14-22/h3-8,11-14H,9-10,15-18H2,1-2H3,(H,32,34)(H,33,35)(H2,30,31,36)