1-[(E)-(4-bromanyl-3-methyl-1,2-thiazol-5-yl)methylideneamino]-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(E)-(4-bromanyl-3-methyl-1,2-thiazol-5-yl)methylideneamino]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(E)-(4-bromo-3-methyl-isothiazol-5-yl)methyleneamino]thiourea CAS Name: 1-[(E)-(4-bromo-3-methyl-5-isothiazolyl)methylideneamino]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(E)-(4-bromo-3-methyl-1,2-thiazol-5-yl)methylideneamino]thiourea Traditional Name: 1-benzyl-1-[(E)-(4-bromo-3-methyl-isothiazol-5-yl)methyleneamino]thiourea Formula: C13H13BrN4S2 MolecularWeight: 369.30312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1Br)C=NN(CC2=CC=CC=C2)C(=S)N

Isomeric SMILES

CC1=NSC(=C1Br)/C=N/N(CC2=CC=CC=C2)C(=S)N

InChI

InChI=1S/C13H13BrN4S2/c1-9-12(14)11(20-17-9)7-16-18(13(15)19)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,15,19)/b16-7+