1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-piperonyl-thiourea Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNNC(=S)NCC2=CC3=C(C=C2)OCO3)C=C(C1=O)C

Isomeric SMILES

CC1=CC(=CNNC(=S)NCC2=CC3=C(C=C2)OCO3)C=C(C1=O)C

InChI

InChI=1S/C18H19N3O3S/c1-11-5-14(6-12(2)17(11)22)9-20-21-18(25)19-8-13-3-4-15-16(7-13)24-10-23-15/h3-7,9,20H,8,10H2,1-2H3,(H2,19,21,25)