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

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-[2-(cyclohexen-1-yl)ethyl]thiourea Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-[2-(cyclohexen-1-yl)ethyl]thiourea CAS Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-3-[2-(1-cyclohexenyl)ethyl]thiourea IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-[2-(cyclohexen-1-yl)ethyl]thiourea Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-[2-(cyclohexen-1-yl)ethyl]thiourea Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)NNC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)NNC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H25N3O3S/c23-18(9-7-15-6-8-16-17(12-15)25-13-24-16)21-22-19(26)20-11-10-14-4-2-1-3-5-14/h4,6,8,12H,1-3,5,7,9-11,13H2,(H,21,23)(H2,20,22,26)