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

Systemtic Name: 1-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-(2,6-dimethylphenyl)thiourea Openeye Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-(2,6-dimethylphenyl)thiourea IUPAC Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-(2,6-dimethylphenyl)thiourea Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NN=CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N/N=C/C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C17H16BrN3O2S/c1-10-4-3-5-11(2)16(10)20-17(24)21-19-8-12-6-14-15(7-13(12)18)23-9-22-14/h3-8H,9H2,1-2H3,(H2,20,21,24)/b19-8+