[[3-(4-methylpiperazin-1-yl)phenyl]amino] 3-azanyl-4-ethyl-2-methylsulfanyl-benzoate

Systemtic Name: [[3-(4-methylpiperazin-1-yl)phenyl]amino] 3-azanyl-4-ethyl-2-methylsulfanyl-benzoate Openeye Name: [3-(4-methylpiperazin-1-yl)anilino] 3-amino-4-ethyl-2-methylsulfanyl-benzoate CAS Name: 3-amino-4-ethyl-2-(methylthio)benzoic acid [3-(4-methyl-1-piperazinyl)anilino] ester IUPAC Name: [3-(4-methylpiperazin-1-yl)anilino] 3-amino-4-ethyl-2-methylsulfanylbenzoate Traditional Name: 3-amino-4-ethyl-2-(methylthio)benzoic acid [3-(4-methylpiperazino)anilino] ester Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C(=O)ONC2=CC=CC(=C2)N3CCN(CC3)C)SC)N

Isomeric SMILES

CCC1=C(C(=C(C=C1)C(=O)ONC2=CC=CC(=C2)N3CCN(CC3)C)SC)N

InChI

InChI=1S/C21H28N4O2S/c1-4-15-8-9-18(20(28-3)19(15)22)21(26)27-23-16-6-5-7-17(14-16)25-12-10-24(2)11-13-25/h5-9,14,23H,4,10-13,22H2,1-3H3