1-[1-(4-butan-2-ylphenyl)propyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[1-(4-butan-2-ylphenyl)propyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-(3-nitrophenyl)-3-[1-(4-sec-butylphenyl)propyl]thiourea CAS Name: 1-[1-(4-butan-2-ylphenyl)propyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[1-(4-butan-2-ylphenyl)propyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-(3-nitrophenyl)-3-[1-(4-sec-butylphenyl)propyl]thiourea Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O2S/c1-4-14(3)15-9-11-16(12-10-15)19(5-2)22-20(26)21-17-7-6-8-18(13-17)23(24)25/h6-14,19H,4-5H2,1-3H3,(H2,21,22,26)