1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(3-methyl-1-cyclopent-2-enylidene)amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]thiourea Traditional Name: 1-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-3-piperonyl-thiourea Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC(=S)NCC2=CC3=C(C=C2)OCO3)CC1

Isomeric SMILES

CC1=C/C(=N/NC(=S)NCC2=CC3=C(C=C2)OCO3)/CC1

InChI

InChI=1S/C15H17N3O2S/c1-10-2-4-12(6-10)17-18-15(21)16-8-11-3-5-13-14(7-11)20-9-19-13/h3,5-7H,2,4,8-9H2,1H3,(H2,16,18,21)/b17-12+