1-(3-morpholin-4-ylpropyl)-1-[(4-nitrophenyl)methyl]-3-phenyl-thiourea

Systemtic Name: 1-(3-morpholin-4-ylpropyl)-1-[(4-nitrophenyl)methyl]-3-phenyl-thiourea Openeye Name: 1-(3-morpholinopropyl)-1-[(4-nitrophenyl)methyl]-3-phenyl-thiourea CAS Name: 1-[3-(4-morpholinyl)propyl]-1-[(4-nitrophenyl)methyl]-3-phenylthiourea IUPAC Name: 1-(3-morpholin-4-ylpropyl)-1-[(4-nitrophenyl)methyl]-3-phenylthiourea Traditional Name: 1-(3-morpholinopropyl)-1-(4-nitrobenzyl)-3-phenyl-thiourea Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c26-25(27)20-9-7-18(8-10-20)17-24(12-4-11-23-13-15-28-16-14-23)21(29)22-19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,22,29)