N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(4-chlorophenyl)sulfanyl-butanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(4-chlorophenyl)sulfanyl-butanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(4-chlorophenyl)sulfanyl-butanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-[(4-chlorophenyl)thio]butanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(4-chlorophenyl)sulfanylbutanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-[(4-chlorophenyl)thio]butyramide Formula: C23H19ClN2OS2 MolecularWeight: 438.99276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19ClN2OS2/c24-17-10-12-19(13-11-17)28-14-4-9-22(27)25-18-6-3-5-16(15-18)23-26-20-7-1-2-8-21(20)29-23/h1-3,5-8,10-13,15H,4,9,14H2,(H,25,27)