4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=NC(=O)CSC(C3=CN2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)N2C3=NC(=O)CSC(C3=CN2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H21N3O3S/c23-17-10-26-18(12-6-7-15-16(8-12)25-11-24-15)14-9-20-22(19(14)21-17)13-4-2-1-3-5-13/h6-9,13,18,20H,1-5,10-11H2