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

Systemtic Name: 1-(4-butylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-[[(4-butylanilino)-sulfanylidenemethyl]amino]-3-(2-nitrophenyl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(2-nitrophenyl)thiocarbamoylamino]thiourea Formula: C18H21N5O2S2 MolecularWeight: 403.52164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O2S2/c1-2-3-6-13-9-11-14(12-10-13)19-17(26)21-22-18(27)20-15-7-4-5-8-16(15)23(24)25/h4-5,7-12H,2-3,6H2,1H3,(H2,19,21,26)(H2,20,22,27)