3-(2-chloranyl-5-nitro-phenyl)-1,1-dipropyl-thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1,1-dipropyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1,1-dipropyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1,1-dipropylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1,1-dipropylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1,1-dipropyl-thiourea Formula: C13H18ClN3O2S MolecularWeight: 315.81892

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN(CCC)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H18ClN3O2S/c1-3-7-16(8-4-2)13(20)15-12-9-10(17(18)19)5-6-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,20)