1-(1,3-benzodioxol-5-ylmethyl)-3-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4S)-thiochroman-4-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]thiourea Traditional Name: 1-piperonyl-3-[(4S)-thiochroman-4-yl]thiourea Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N2O2S2/c23-18(19-10-12-5-6-15-16(9-12)22-11-21-15)20-14-7-8-24-17-4-2-1-3-13(14)17/h1-6,9,14H,7-8,10-11H2,(H2,19,20,23)/t14-/m0/s1