2-diethylaminoethyl 4-[(4-nitrophenyl)carbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(4-nitrophenyl)carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(4-nitrophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(4-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-nitrophenyl)thiocarbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S/c1-3-23(4-2)13-14-28-19(25)15-5-7-16(8-6-15)21-20(29)22-17-9-11-18(12-10-17)24(26)27/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,29)