1-(2-chloranyl-5-nitro-phenyl)-3-[(4-methoxyphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(4-methoxyphenyl)carbamothioylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4-methoxyphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(4-methoxyphenyl)carbamothioylamino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4-methoxyphenyl)thiocarbamoylamino]thiourea Formula: C15H14ClN5O3S2 MolecularWeight: 411.88636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5O3S2/c1-24-11-5-2-9(3-6-11)17-14(25)19-20-15(26)18-13-8-10(21(22)23)4-7-12(13)16/h2-8H,1H3,(H2,17,19,25)(H2,18,20,26)