2-[[5-[(Z)-N-[(4-aminophenyl)carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[5-[(Z)-N-[(4-aminophenyl)carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(Z)-N-[(4-aminobenzoyl)amino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[5-[(1Z)-1-[[(4-aminophenyl)-oxomethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]methylthio]acetate IUPAC Name: 2-[[5-[(Z)-N-[(4-aminobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(Z)-N-[(4-aminobenzoyl)amino]-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetate Formula: C19H20N3O4S- MolecularWeight: 386.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)N)C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=C(C=C1)N)/C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-12(21-22-19(25)13-3-6-16(20)7-4-13)14-5-8-17(26-2)15(9-14)10-27-11-18(23)24/h3-9H,10-11,20H2,1-2H3,(H,22,25)(H,23,24)/p-1/b21-12-