3-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-cyclopropylethyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-cyclopropylethyl]-1-(phenylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-[(1R)-1-cyclopropylethyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-cyclopropylethyl]-1-(phenylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-[(1R)-1-cyclopropylethyl]thiourea Traditional Name: 1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-piperonyl-thiourea Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C1CC1)N(CC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O2S/c1-15(18-8-9-18)23(13-16-5-3-2-4-6-16)21(26)22-12-17-7-10-19-20(11-17)25-14-24-19/h2-7,10-11,15,18H,8-9,12-14H2,1H3,(H,22,26)/t15-/m1/s1