1-(4-nitrophenyl)-3-(propan-2-ylcarbamothioylamino)thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-(propan-2-ylcarbamothioylamino)thiourea Openeye Name: 1-isopropyl-3-[(4-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-(4-nitrophenyl)-3-(propan-2-ylcarbamothioylamino)thiourea Traditional Name: 1-isopropyl-3-[(4-nitrophenyl)thiocarbamoylamino]thiourea Formula: C11H15N5O2S2 MolecularWeight: 313.3991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=S)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H15N5O2S2/c1-7(2)12-10(19)14-15-11(20)13-8-3-5-9(6-4-8)16(17)18/h3-7H,1-2H3,(H2,12,14,19)(H2,13,15,20)