N'-quinolin-2-yl-N-(5,6,7,8-tetrahydro-4H-thiochromen-4-yl)propane-1,3-diamine

Systemtic Name: N'-quinolin-2-yl-N-(5,6,7,8-tetrahydro-4H-thiochromen-4-yl)propane-1,3-diamine Openeye Name: N'-(2-quinolyl)-N-(5,6,7,8-tetrahydro-4H-thiochromen-4-yl)propane-1,3-diamine CAS Name: N'-(2-quinolinyl)-N-(5,6,7,8-tetrahydro-4H-1-benzothiopyran-4-yl)propane-1,3-diamine IUPAC Name: N'-quinolin-2-yl-N-(5,6,7,8-tetrahydro-4H-thiochromen-4-yl)propane-1,3-diamine Traditional Name: 2-quinolyl-[3-(5,6,7,8-tetrahydro-4H-thiochromen-4-ylamino)propyl]amine Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(C=CS2)NCCCNC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC2=C(C1)C(C=CS2)NCCCNC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H25N3S/c1-3-8-18-16(6-1)10-11-21(24-18)23-14-5-13-22-19-12-15-25-20-9-4-2-7-17(19)20/h1,3,6,8,10-12,15,19,22H,2,4-5,7,9,13-14H2,(H,23,24)