N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-(4-phenyl-1-piperazinyl)butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-keto-4-(4-phenylpiperazino)butyramide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O2S/c22-15-6-7-17-18(14-15)29-21(23-17)24-19(27)8-9-20(28)26-12-10-25(11-13-26)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,23,24,27)