N-(5-chloranyl-2-methoxy-phenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-ethyl-1,3,4,9-tetrahydro-$b-carboline-2-carbothioamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=S)NC3=C(C=CC(=C3)Cl)OC)C4=CC=CC=C4N2

Isomeric SMILES

CCC1C2=C(CCN1C(=S)NC3=C(C=CC(=C3)Cl)OC)C4=CC=CC=C4N2

InChI

InChI=1S/C21H22ClN3OS/c1-3-18-20-15(14-6-4-5-7-16(14)23-20)10-11-25(18)21(27)24-17-12-13(22)8-9-19(17)26-2/h4-9,12,18,23H,3,10-11H2,1-2H3,(H,24,27)