1,1-bis(3-methylbutyl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1,1-bis(3-methylbutyl)-3-(4-nitrophenyl)thiourea Openeye Name: 1,1-diisopentyl-3-(4-nitrophenyl)thiourea CAS Name: 1,1-bis(3-methylbutyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1,1-bis(3-methylbutyl)-3-(4-nitrophenyl)thiourea Traditional Name: 1,1-diisoamyl-3-(4-nitrophenyl)thiourea Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCC(C)C)C(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN(CCC(C)C)C(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H27N3O2S/c1-13(2)9-11-19(12-10-14(3)4)17(23)18-15-5-7-16(8-6-15)20(21)22/h5-8,13-14H,9-12H2,1-4H3,(H,18,23)