1-(4-ethylphenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]phenyl]urea

Systemtic Name: 1-(4-ethylphenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]phenyl]urea Openeye Name: 1-(4-ethylphenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]phenyl]urea CAS Name: 1-(4-ethylphenyl)-3-[4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]phenyl]urea IUPAC Name: 1-(4-ethylphenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]phenyl]urea Traditional Name: 1-(4-ethylphenyl)-3-[4-[(4-nitrophenyl)thiocarbamoylamino]phenyl]urea Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3S/c1-2-15-3-5-16(6-4-15)23-21(28)24-17-7-9-18(10-8-17)25-22(31)26-19-11-13-20(14-12-19)27(29)30/h3-14H,2H2,1H3,(H2,23,24,28)(H2,25,26,31)