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

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NN=C(C)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N/N=C(\C)/CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O3S/c1-13-3-8-19-16(9-13)11-20(27-19)21(24)23-22-14(2)4-5-15-6-7-17-18(10-15)26-12-25-17/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,23,24)/b22-14+