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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]-5-bromo-naphthalene-1-carboxamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]-5-bromo-1-naphthalenecarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]-5-bromo-1-naphthamide Formula: C25H15BrClN3OS2 MolecularWeight: 552.8931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H15BrClN3OS2/c26-19-8-4-5-15-16(19)6-3-7-17(15)23(31)30-25(32)28-14-11-12-18(20(27)13-14)24-29-21-9-1-2-10-22(21)33-24/h1-13H,(H2,28,30,31,32)