1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1-cyclohexenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-piperonyl-thiourea Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H22N2O2S/c22-17(18-9-8-13-4-2-1-3-5-13)19-11-14-6-7-15-16(10-14)21-12-20-15/h4,6-7,10H,1-3,5,8-9,11-12H2,(H2,18,19,22)