N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-5-bromo-naphthalene-1-carboxamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-5-bromo-1-naphthalenecarboxamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-5-bromo-1-naphthamide Formula: C25H15BrIN3OS2 MolecularWeight: 644.34457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C25H15BrIN3OS2/c26-19-8-4-5-15-16(19)6-3-7-17(15)23(31)30-25(32)29-20-12-11-14(27)13-18(20)24-28-21-9-1-2-10-22(21)33-24/h1-13H,(H2,29,30,31,32)