1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea

Systemtic Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea Openeye Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea IUPAC Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2,6-dimethylphenyl)thiourea Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-11-5-4-6-12(2)17(11)19-18(24)21-20-13(3)14-7-8-15-16(9-14)23-10-22-15/h4-9H,10H2,1-3H3,(H2,19,21,24)/b20-13+