2-azanyl-4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]pentanamide; methanoic acid

Systemtic Name: 2-azanyl-4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]pentanamide; methanoic acid Openeye Name: 2-amino-4-methyl-N-[3-methylsulfanyl-1-(2-naphthylcarbamoyl)propyl]pentanamide; formic acid CAS Name: 2-amino-4-methyl-N-[4-(methylthio)-1-(2-naphthalenylamino)-1-oxobutan-2-yl]pentanamide; formic acid IUPAC Name: 2-amino-4-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]pentanamide; formic acid Traditional Name: 2-amino-4-methyl-N-[3-(methylthio)-1-(2-naphthylcarbamoyl)propyl]valeramide; formic acid Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)NC1=CC2=CC=CC=C2C=C1)N.C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)NC1=CC2=CC=CC=C2C=C1)N.C(=O)O

InChI

InChI=1S/C21H29N3O2S.CH2O2/c1-14(2)12-18(22)20(25)24-19(10-11-27-3)21(26)23-17-9-8-15-6-4-5-7-16(15)13-17;2-1-3/h4-9,13-14,18-19H,10-12,22H2,1-3H3,(H,23,26)(H,24,25);1H,(H,2,3)