3-(3-nitrophenyl)-1,1-dipentyl-thiourea

Systemtic Name: 3-(3-nitrophenyl)-1,1-dipentyl-thiourea Openeye Name: 3-(3-nitrophenyl)-1,1-dipentyl-thiourea CAS Name: 3-(3-nitrophenyl)-1,1-dipentylthiourea IUPAC Name: 3-(3-nitrophenyl)-1,1-dipentylthiourea Traditional Name: 1,1-diamyl-3-(3-nitrophenyl)thiourea Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2S/c1-3-5-7-12-19(13-8-6-4-2)17(23)18-15-10-9-11-16(14-15)20(21)22/h9-11,14H,3-8,12-13H2,1-2H3,(H,18,23)