1-[(Z)-(7-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(Z)-(7-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methyleneamino]-1-methyl-thiourea CAS Name: 1-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methyleneamino]-1-methyl-thiourea Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)N=CC2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)/N=C\C2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C17H16BrN3O2S/c1-21(17(24)19-9-12-5-3-2-4-6-12)20-10-13-7-14(18)16-15(8-13)22-11-23-16/h2-8,10H,9,11H2,1H3,(H,19,24)/b20-10-