3-(2-chloranyl-5-nitro-phenyl)-1-(phenylmethyl)-1-propyl-thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-(phenylmethyl)-1-propyl-thiourea Openeye Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)-1-propyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-(phenylmethyl)-1-propylthiourea IUPAC Name: 1-benzyl-3-(2-chloro-5-nitrophenyl)-1-propylthiourea Traditional Name: 1-benzyl-3-(2-chloro-5-nitro-phenyl)-1-propyl-thiourea Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O2S/c1-2-10-20(12-13-6-4-3-5-7-13)17(24)19-16-11-14(21(22)23)8-9-15(16)18/h3-9,11H,2,10,12H2,1H3,(H,19,24)