1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(4S)-thiochroman-4-yl]thiourea CAS Name: 1-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(4S)-thiochroman-4-yl]thiourea Formula: C16H24N3OS2+ MolecularWeight: 338.51126

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C16H23N3OS2/c21-16(17-6-7-19-8-10-20-11-9-19)18-14-5-12-22-15-4-2-1-3-13(14)15/h1-4,14H,5-12H2,(H2,17,18,21)/p+1/t14-/m0/s1