1-[(3,4-dipropoxyphenyl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[(3,4-dipropoxyphenyl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[(3,4-dipropoxybenzoyl)amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[(3,4-dipropoxyphenyl)-oxomethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[(3,4-dipropoxybenzoyl)amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[(3,4-dipropoxybenzoyl)amino]-3-(4-fluorobenzyl)thiourea Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F)OCCC

InChI

InChI=1S/C21H26FN3O3S/c1-3-11-27-18-10-7-16(13-19(18)28-12-4-2)20(26)24-25-21(29)23-14-15-5-8-17(22)9-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,26)(H2,23,25,29)