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

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-chlorophenyl)sulfanyl-butanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-chlorophenyl)sulfanyl-butanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-[(4-chlorophenyl)thio]butanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-chlorophenyl)sulfanylbutanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-[(4-chlorophenyl)thio]butyramide Formula: C21H17ClN2OS2 MolecularWeight: 412.95548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2OS2/c22-15-8-10-16(11-9-15)26-13-3-6-19(25)23-21-24-20-17-5-2-1-4-14(17)7-12-18(20)27-21/h1-2,4-5,7-12H,3,6,13H2,(H,23,24,25)