3-(2-chloranyl-5-nitro-phenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-methyl-1-[(4-morpholinophenyl)methyl]thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[[4-(4-morpholinyl)phenyl]methyl]thiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-methyl-1-(4-morpholinobenzyl)thiourea Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN4O3S/c1-22(19(28)21-18-12-16(24(25)26)6-7-17(18)20)13-14-2-4-15(5-3-14)23-8-10-27-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,21,28)