N-[4-[[(E)-(5-bromanylthiophen-2-yl)methylideneamino]carbamoyl]phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-[[(E)-(5-bromanylthiophen-2-yl)methylideneamino]carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[(E)-(5-bromo-2-thienyl)methyleneamino]carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[(2E)-2-[(5-bromo-2-thiophenyl)methylidene]hydrazinyl]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[(E)-(5-bromothiophen-2-yl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[(E)-(5-bromo-2-thienyl)methyleneamino]carbamoyl]phenyl]-3-methyl-benzamide Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(S3)Br

InChI

InChI=1S/C20H16BrN3O2S/c1-13-3-2-4-15(11-13)19(25)23-16-7-5-14(6-8-16)20(26)24-22-12-17-9-10-18(21)27-17/h2-12H,1H3,(H,23,25)(H,24,26)/b22-12+