N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-chloranyl-butanamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-chloranyl-butanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-chloro-butanamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-chlorobutanamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-chlorobutanamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-chloro-butyramide Formula: C16H20ClN3OS2 MolecularWeight: 369.9325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CCCCl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CCCCl

InChI

InChI=1S/C16H20ClN3OS2/c1-2-3-5-11-7-8-12-13(10-11)23-16(18-12)20-15(22)19-14(21)6-4-9-17/h7-8,10H,2-6,9H2,1H3,(H2,18,19,20,21,22)