N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-chloro-5-nitro-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-chloro-5-nitro-benzamide Formula: C19H17ClN4O3S2 MolecularWeight: 448.94628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O3S2/c1-2-3-4-11-5-8-15-16(9-11)29-19(21-15)23-18(28)22-17(25)13-10-12(24(26)27)6-7-14(13)20/h5-10H,2-4H2,1H3,(H2,21,22,23,25,28)