N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H16ClN5O4S2 MolecularWeight: 477.94444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C19H16ClN5O4S2/c20-13-2-1-3-15-16(13)21-19(31-15)23-18(30)22-17(26)12-10-11(25(27)28)4-5-14(12)24-6-8-29-9-7-24/h1-5,10H,6-9H2,(H2,21,22,23,26,30)