1-(3-methylbutyl)-3-[2-(4-nitrophenyl)sulfanylethanoylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[2-(4-nitrophenyl)sulfanylethanoylamino]thiourea Openeye Name: 1-isopentyl-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[2-[(4-nitrophenyl)thio]acetyl]amino]thiourea Formula: C14H20N4O3S2 MolecularWeight: 356.4636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O3S2/c1-10(2)7-8-15-14(22)17-16-13(19)9-23-12-5-3-11(4-6-12)18(20)21/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H2,15,17,22)