1-(2-methylphenyl)-3-[(4-nitrophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[(4-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-(4-nitrophenyl)-3-(o-tolylcarbamothioylamino)thiourea CAS Name: 1-[[(2-methylanilino)-sulfanylidenemethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(4-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-(4-nitrophenyl)-3-(o-tolylthiocarbamoylamino)thiourea Formula: C15H15N5O2S2 MolecularWeight: 361.4419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O2S2/c1-10-4-2-3-5-13(10)17-15(24)19-18-14(23)16-11-6-8-12(9-7-11)20(21)22/h2-9H,1H3,(H2,16,18,23)(H2,17,19,24)