1-[(E)-[2-[2-(4-bromanylphenoxy)ethoxy]-5-nitro-phenyl]methylideneamino]-3-methyl-thiourea

Systemtic Name: 1-[(E)-[2-[2-(4-bromanylphenoxy)ethoxy]-5-nitro-phenyl]methylideneamino]-3-methyl-thiourea Openeye Name: 1-[(E)-[2-[2-(4-bromophenoxy)ethoxy]-5-nitro-phenyl]methyleneamino]-3-methyl-thiourea CAS Name: 1-[(E)-[2-[2-(4-bromophenoxy)ethoxy]-5-nitrophenyl]methylideneamino]-3-methylthiourea IUPAC Name: 1-[(E)-[2-[2-(4-bromophenoxy)ethoxy]-5-nitrophenyl]methylideneamino]-3-methylthiourea Traditional Name: 1-[(E)-[2-[2-(4-bromophenoxy)ethoxy]-5-nitro-benzylidene]amino]-3-methyl-thiourea Formula: C17H17BrN4O4S MolecularWeight: 453.31028

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])OCCOC2=CC=C(C=C2)Br

Isomeric SMILES

CNC(=S)N/N=C/C1=C(C=CC(=C1)[N+](=O)[O-])OCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H17BrN4O4S/c1-19-17(27)21-20-11-12-10-14(22(23)24)4-7-16(12)26-9-8-25-15-5-2-13(18)3-6-15/h2-7,10-11H,8-9H2,1H3,(H2,19,21,27)/b20-11+