1-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-(4-methylphenyl)-phenyl-methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-(4-methylphenyl)-phenyl-methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-phenyl(p-tolyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-(4-methylphenyl)-phenylmethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-(4-methylphenyl)-phenylmethyl]thiourea Traditional Name: 1-[(S)-phenyl(p-tolyl)methyl]-3-piperonyl-thiourea Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O2S/c1-16-7-10-19(11-8-16)22(18-5-3-2-4-6-18)25-23(28)24-14-17-9-12-20-21(13-17)27-15-26-20/h2-13,22H,14-15H2,1H3,(H2,24,25,28)/t22-/m0/s1