3-(2-methoxy-4-nitro-phenyl)-1,1-dipentyl-thiourea

Systemtic Name: 3-(2-methoxy-4-nitro-phenyl)-1,1-dipentyl-thiourea Openeye Name: 3-(2-methoxy-4-nitro-phenyl)-1,1-dipentyl-thiourea CAS Name: 3-(2-methoxy-4-nitrophenyl)-1,1-dipentylthiourea IUPAC Name: 3-(2-methoxy-4-nitrophenyl)-1,1-dipentylthiourea Traditional Name: 1,1-diamyl-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCN(CCCCC)C(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C18H29N3O3S/c1-4-6-8-12-20(13-9-7-5-2)18(25)19-16-11-10-15(21(22)23)14-17(16)24-3/h10-11,14H,4-9,12-13H2,1-3H3,(H,19,25)