1-(3-chloranyl-4-methyl-phenyl)-3-[2-(2-nitrophenoxy)ethanoylamino]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[2-(2-nitrophenoxy)ethanoylamino]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea Formula: C16H15ClN4O4S MolecularWeight: 394.8327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)COC2=CC=CC=C2[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)COC2=CC=CC=C2[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O4S/c1-10-6-7-11(8-12(10)17)18-16(26)20-19-15(22)9-25-14-5-3-2-4-13(14)21(23)24/h2-8H,9H2,1H3,(H,19,22)(H2,18,20,26)