1-(3-methylbutyl)-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-(3-methylbutyl)-3-(3-nitrophenyl)thiourea Openeye Name: 1-isopentyl-3-(3-nitrophenyl)thiourea CAS Name: 1-(3-methylbutyl)-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(3-methylbutyl)-3-(3-nitrophenyl)thiourea Traditional Name: 1-isoamyl-3-(3-nitrophenyl)thiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c1-9(2)6-7-13-12(18)14-10-4-3-5-11(8-10)15(16)17/h3-5,8-9H,6-7H2,1-2H3,(H2,13,14,18)