3-methyl-1-[(4-nitrophenyl)methyl]-1-propyl-thiourea

Systemtic Name: 3-methyl-1-[(4-nitrophenyl)methyl]-1-propyl-thiourea Openeye Name: 3-methyl-1-[(4-nitrophenyl)methyl]-1-propyl-thiourea CAS Name: 3-methyl-1-[(4-nitrophenyl)methyl]-1-propylthiourea IUPAC Name: 3-methyl-1-[(4-nitrophenyl)methyl]-1-propylthiourea Traditional Name: 3-methyl-1-(4-nitrobenzyl)-1-propyl-thiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C(=S)NC

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C(=S)NC

InChI

InChI=1S/C12H17N3O2S/c1-3-8-14(12(18)13-2)9-10-4-6-11(7-5-10)15(16)17/h4-7H,3,8-9H2,1-2H3,(H,13,18)