1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(2,6-dimethylphenyl)thiourea

Systemtic Name: 1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(2,6-dimethylphenyl)thiourea Openeye Name: 1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(2,6-dimethylphenyl)thiourea IUPAC Name: 1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-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=CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N/N=C/C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H19N3O2S/c1-12-4-3-5-13(2)17(12)20-18(24)21-19-11-14-6-7-15-16(10-14)23-9-8-22-15/h3-7,10-11H,8-9H2,1-2H3,(H2,20,21,24)/b19-11+