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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-(4-methoxyphenyl)-phenyl-methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-(4-methoxyphenyl)-phenyl-methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-(4-methoxyphenyl)-phenylmethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-(4-methoxyphenyl)-phenylmethyl]thiourea Traditional Name: 1-[(S)-(4-methoxyphenyl)-phenyl-methyl]-3-piperonyl-thiourea Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O3S/c1-26-19-10-8-18(9-11-19)22(17-5-3-2-4-6-17)25-23(29)24-14-16-7-12-20-21(13-16)28-15-27-20/h2-13,22H,14-15H2,1H3,(H2,24,25,29)/t22-/m0/s1