N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NN=C(C)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)N/N=C(\C)/CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O3S/c1-3-15-7-9-20-17(10-15)12-21(28-20)22(25)24-23-14(2)4-5-16-6-8-18-19(11-16)27-13-26-18/h6,8,11-12,15H,3-5,7,9-10,13H2,1-2H3,(H,24,25)/b23-14+