2-azanyl-5-[bis(azanyl)methylideneamino]-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-2-nitro-1-oxidanylidene-butan-2-yl]pentanamide

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-2-nitro-1-oxidanylidene-butan-2-yl]pentanamide Openeye Name: 2-amino-5-guanidino-N-[3-methylsulfanyl-1-(2-naphthylcarbamoyl)-1-nitro-propyl]pentanamide CAS Name: 2-amino-5-(diaminomethylideneamino)-N-[4-(methylthio)-1-(2-naphthalenylamino)-2-nitro-1-oxobutan-2-yl]pentanamide IUPAC Name: 2-amino-5-(diaminomethylideneamino)-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-2-nitro-1-oxobutan-2-yl]pentanamide Traditional Name: 2-amino-5-guanidino-N-[3-(methylthio)-1-(2-naphthylcarbamoyl)-1-nitro-propyl]valeramide Formula: C21H29N7O4S MolecularWeight: 475.56446

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)(NC(=O)C(CCCN=C(N)N)N)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)(NC(=O)C(CCCN=C(N)N)N)[N+](=O)[O-]

InChI

InChI=1S/C21H29N7O4S/c1-33-12-10-21(28(31)32,27-18(29)17(22)7-4-11-25-20(23)24)19(30)26-16-9-8-14-5-2-3-6-15(14)13-16/h2-3,5-6,8-9,13,17H,4,7,10-12,22H2,1H3,(H,26,30)(H,27,29)(H4,23,24,25)