1-[(4-chlorophenyl)carbamothioylamino]-3-(2-methoxy-4-nitro-phenyl)urea

Systemtic Name: 1-[(4-chlorophenyl)carbamothioylamino]-3-(2-methoxy-4-nitro-phenyl)urea Openeye Name: 1-[(4-chlorophenyl)carbamothioylamino]-3-(2-methoxy-4-nitro-phenyl)urea CAS Name: 1-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-3-(2-methoxy-4-nitrophenyl)urea IUPAC Name: 1-[(4-chlorophenyl)carbamothioylamino]-3-(2-methoxy-4-nitrophenyl)urea Traditional Name: 1-[(4-chlorophenyl)thiocarbamoylamino]-3-(2-methoxy-4-nitro-phenyl)urea Formula: C15H14ClN5O4S MolecularWeight: 395.82076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NNC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NNC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H14ClN5O4S/c1-25-13-8-11(21(23)24)6-7-12(13)18-14(22)19-20-15(26)17-10-4-2-9(16)3-5-10/h2-8H,1H3,(H2,17,20,26)(H2,18,19,22)