N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-morpholinosulfonyl-benzamide Formula: C20H20N4O5S3 MolecularWeight: 492.5916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H20N4O5S3/c1-28-14-4-7-16-17(12-14)31-20(21-16)23-19(30)22-18(25)13-2-5-15(6-3-13)32(26,27)24-8-10-29-11-9-24/h2-7,12H,8-11H2,1H3,(H2,21,22,23,25,30)