4-(8-chloranyl-5H-[1]benzothiepino[4,3-b]pyridin-11-ylidene)-N-cyano-piperidine-1-carbothioamide

Systemtic Name: 4-(8-chloranyl-5H-[1]benzothiepino[4,3-b]pyridin-11-ylidene)-N-cyano-piperidine-1-carbothioamide Openeye Name: 4-(8-chloro-5H-[1]benzothiepino[4,3-b]pyridin-11-ylidene)-N-cyano-piperidine-1-carbothioamide CAS Name: 4-(8-chloro-5H-[1]benzothiepino[4,3-b]pyridin-11-ylidene)-N-cyano-1-piperidinecarbothioamide IUPAC Name: 4-(8-chloro-5H-[1]benzothiepino[4,3-b]pyridin-11-ylidene)-N-cyanopiperidine-1-carbothioamide Traditional Name: 4-(8-chloro-5H-[1]benzothiepino[4,3-b]pyridin-11-ylidene)-N-cyano-piperidine-1-carbothioamide Formula: C20H17ClN4S2 MolecularWeight: 412.95878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=C2C3=C(C=C(C=C3)Cl)SCC4=C2N=CC=C4)C(=S)NC#N

Isomeric SMILES

C1CN(CCC1=C2C3=C(C=C(C=C3)Cl)SCC4=C2N=CC=C4)C(=S)NC#N

InChI

InChI=1S/C20H17ClN4S2/c21-15-3-4-16-17(10-15)27-11-14-2-1-7-23-19(14)18(16)13-5-8-25(9-6-13)20(26)24-12-22/h1-4,7,10H,5-6,8-9,11H2,(H,24,26)