1-(1,3-benzodioxol-5-ylmethyl)-3-[6-methoxy-1-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[6-methoxy-1-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1-benzyl-6-methoxy-tetralin-2-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[6-methoxy-1-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)thiourea Traditional Name: 1-(1-benzyl-6-methoxy-tetralin-2-yl)-3-piperonyl-thiourea Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(CC2)NC(=S)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(CC2)NC(=S)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N2O3S/c1-30-21-9-10-22-20(15-21)8-11-24(23(22)13-18-5-3-2-4-6-18)29-27(33)28-16-19-7-12-25-26(14-19)32-17-31-25/h2-7,9-10,12,14-15,23-24H,8,11,13,16-17H2,1H3,(H2,28,29,33)