1-(4-butyl-2-methyl-phenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiourea

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiourea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiourea CAS Name: 1-(4-butyl-2-methylphenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiourea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiourea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiourea Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NCC2COC(O2)(C)C)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NCC2COC(O2)(C)C)C

InChI

InChI=1S/C18H28N2O2S/c1-5-6-7-14-8-9-16(13(2)10-14)20-17(23)19-11-15-12-21-18(3,4)22-15/h8-10,15H,5-7,11-12H2,1-4H3,(H2,19,20,23)