1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-[(3S)-3-methylcyclohexylidene]amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-[(3S)-3-methylcyclohexylidene]amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-[(3S)-3-methylcyclohexylidene]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-[(3S)-3-methylcyclohexylidene]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-[(3S)-3-methylcyclohexylidene]amino]thiourea Traditional Name: 1-[(E)-[(3S)-3-methylcyclohexylidene]amino]-3-piperonyl-thiourea Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=NNC(=S)NCC2=CC3=C(C=C2)OCO3)C1

Isomeric SMILES

C[C@H]1CCC/C(=N\NC(=S)NCC2=CC3=C(C=C2)OCO3)/C1

InChI

InChI=1S/C16H21N3O2S/c1-11-3-2-4-13(7-11)18-19-16(22)17-9-12-5-6-14-15(8-12)21-10-20-14/h5-6,8,11H,2-4,7,9-10H2,1H3,(H2,17,19,22)/b18-13+/t11-/m0/s1