N-[(4-bromophenyl)carbamothioyl]phenoxathiine-2-carboxamide

Systemtic Name: N-[(4-bromophenyl)carbamothioyl]phenoxathiine-2-carboxamide Openeye Name: N-[(4-bromophenyl)carbamothioyl]phenoxathiine-2-carboxamide CAS Name: N-[(4-bromoanilino)-sulfanylidenemethyl]-2-phenoxathiinecarboxamide IUPAC Name: N-[(4-bromophenyl)carbamothioyl]phenoxathiine-2-carboxamide Traditional Name: N-[(4-bromophenyl)thiocarbamoyl]phenoxathiine-2-carboxamide Formula: C20H13BrN2O2S2 MolecularWeight: 457.36342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=O)NC(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=O)NC(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H13BrN2O2S2/c21-13-6-8-14(9-7-13)22-20(26)23-19(24)12-5-10-16-18(11-12)27-17-4-2-1-3-15(17)25-16/h1-11H,(H2,22,23,24,26)