N-[3-[bis(azanyl)methylideneamino]-4-methyl-phenyl]-3-(trifluoromethylsulfonyl)benzamide

Systemtic Name: N-[3-[bis(azanyl)methylideneamino]-4-methyl-phenyl]-3-(trifluoromethylsulfonyl)benzamide Openeye Name: N-(3-guanidino-4-methyl-phenyl)-3-(trifluoromethylsulfonyl)benzamide CAS Name: N-[3-(diaminomethylideneamino)-4-methylphenyl]-3-(trifluoromethylsulfonyl)benzamide IUPAC Name: N-[3-(diaminomethylideneamino)-4-methylphenyl]-3-(trifluoromethylsulfonyl)benzamide Traditional Name: N-(3-guanidino-4-methyl-phenyl)-3-triflyl-benzamide Formula: C16H15F3N4O3S MolecularWeight: 400.37551

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C(F)(F)F)N=C(N)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C(F)(F)F)N=C(N)N

InChI

InChI=1S/C16H15F3N4O3S/c1-9-5-6-11(8-13(9)23-15(20)21)22-14(24)10-3-2-4-12(7-10)27(25,26)16(17,18)19/h2-8H,1H3,(H,22,24)(H4,20,21,23)