1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]thiourea Traditional Name: 1-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-3-piperonyl-thiourea Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O2S/c1-4-15-5-8-17(9-6-15)20(14(2)3)23-21(26)22-12-16-7-10-18-19(11-16)25-13-24-18/h5-11,14,20H,4,12-13H2,1-3H3,(H2,22,23,26)/t20-/m0/s1