3-(2-chloranyl-5-nitro-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea Formula: C20H24ClN5O3S MolecularWeight: 449.95426

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(CC2=CC=NC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CCCN(CC2=CC=NC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H24ClN5O3S/c21-18-3-2-17(26(27)28)14-19(18)23-20(30)25(15-16-4-6-22-7-5-16)9-1-8-24-10-12-29-13-11-24/h2-7,14H,1,8-13,15H2,(H,23,30)