1-[(3-methoxy-4-propoxy-phenyl)methyl]-3-(4-nitrophenyl)-1-propyl-thiourea

Systemtic Name: 1-[(3-methoxy-4-propoxy-phenyl)methyl]-3-(4-nitrophenyl)-1-propyl-thiourea Openeye Name: 1-[(3-methoxy-4-propoxy-phenyl)methyl]-3-(4-nitrophenyl)-1-propyl-thiourea CAS Name: 1-[(3-methoxy-4-propoxyphenyl)methyl]-3-(4-nitrophenyl)-1-propylthiourea IUPAC Name: 1-[(3-methoxy-4-propoxyphenyl)methyl]-3-(4-nitrophenyl)-1-propylthiourea Traditional Name: 1-(3-methoxy-4-propoxy-benzyl)-3-(4-nitrophenyl)-1-propyl-thiourea Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-4-12-23(21(29)22-17-7-9-18(10-8-17)24(25)26)15-16-6-11-19(28-13-5-2)20(14-16)27-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,29)