N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[4-(3-bromophenyl)thiazol-2-yl]carbamothioyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[[[4-(3-bromophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[[4-(3-bromophenyl)thiazol-2-yl]thiocarbamoyl]-4-morpholinosulfonyl-benzamide Formula: C21H19BrN4O4S3 MolecularWeight: 567.49896

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H19BrN4O4S3/c22-16-3-1-2-15(12-16)18-13-32-21(23-18)25-20(31)24-19(27)14-4-6-17(7-5-14)33(28,29)26-8-10-30-11-9-26/h1-7,12-13H,8-11H2,(H2,23,24,25,27,31)