1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-[(1S)-cyclohex-3-en-1-yl]methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-[(1S)-1-cyclohex-3-enyl]methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea Traditional Name: 1-[(Z)-[(1S)-cyclohex-3-en-1-yl]methyleneamino]-3-piperonyl-thiourea Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C=NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[C@@H](CC=C1)/C=N\NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N3O2S/c22-16(19-18-10-12-4-2-1-3-5-12)17-9-13-6-7-14-15(8-13)21-11-20-14/h1-2,6-8,10,12H,3-5,9,11H2,(H2,17,19,22)/b18-10-/t12-/m1/s1