1-(3-methylsulfanylpropyl)-3-[(3-nitrophenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[(3-nitrophenyl)carbonylamino]thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-[(3-nitrobenzoyl)amino]thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[[(3-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-[(3-nitrobenzoyl)amino]thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-[(3-nitrobenzoyl)amino]thiourea Formula: C12H16N4O3S2 MolecularWeight: 328.41044

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CSCCCNC(=S)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3S2/c1-21-7-3-6-13-12(20)15-14-11(17)9-4-2-5-10(8-9)16(18)19/h2,4-5,8H,3,6-7H2,1H3,(H,14,17)(H2,13,15,20)