1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-methylphenyl)thiourea

Systemtic Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-methylphenyl)thiourea Openeye Name: 1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-(m-tolyl)thiourea CAS Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-methylphenyl)thiourea Traditional Name: 1-(m-tolyl)-3-[(E)-piperonylideneamino]thiourea Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NN=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15N3O2S/c1-11-3-2-4-13(7-11)18-16(22)19-17-9-12-5-6-14-15(8-12)21-10-20-14/h2-9H,10H2,1H3,(H2,18,19,22)/b17-9+