6-chloranyl-N-heptan-4-yl-3,4-dihydro-2H-thiochromen-4-amine

Systemtic Name: 6-chloranyl-N-heptan-4-yl-3,4-dihydro-2H-thiochromen-4-amine Openeye Name: 6-chloro-N-(1-propylbutyl)thiochroman-4-amine CAS Name: 6-chloro-N-heptan-4-yl-3,4-dihydro-2H-1-benzothiopyran-4-amine IUPAC Name: 6-chloro-N-heptan-4-yl-3,4-dihydro-2H-thiochromen-4-amine Traditional Name: (6-chlorothiochroman-4-yl)-(1-propylbutyl)amine Formula: C16H24ClNS MolecularWeight: 297.88646

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1CCSC2=C1C=C(C=C2)Cl

Isomeric SMILES

CCCC(CCC)NC1CCSC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C16H24ClNS/c1-3-5-13(6-4-2)18-15-9-10-19-16-8-7-12(17)11-14(15)16/h7-8,11,13,15,18H,3-6,9-10H2,1-2H3