N-(1,3-benzodioxol-5-ylmethyl)-1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Traditional Name: 1,8-dimethyl-N-piperonyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H19N3O3S/c1-12-3-6-18-14(7-12)20-15(10-28-18)19(23-24(20)2)21(25)22-9-13-4-5-16-17(8-13)27-11-26-16/h3-8H,9-11H2,1-2H3,(H,22,25)