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

Systemtic Name: N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C26H24N4O3S2 MolecularWeight: 504.62376

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3S2/c31-24(19-7-4-8-21(15-19)33-17-18-5-2-1-3-6-18)28-25(34)29-26-27-22-10-9-20(16-23(22)35-26)30-11-13-32-14-12-30/h1-10,15-16H,11-14,17H2,(H2,27,28,29,31,34)