1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylbutan-2-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylbutan-2-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1-methyl-3-phenyl-propyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylbutan-2-yl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylbutan-2-yl)thiourea Traditional Name: 1-(1-methyl-3-phenyl-propyl)-3-piperonyl-thiourea Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O2S/c1-14(7-8-15-5-3-2-4-6-15)21-19(24)20-12-16-9-10-17-18(11-16)23-13-22-17/h2-6,9-11,14H,7-8,12-13H2,1H3,(H2,20,21,24)