N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-methyl-thieno[2,3-b]indole-2-carboxamide

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-methyl-thieno[2,3-b]indole-2-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-4-methyl-thieno[2,3-b]indole-2-carboxamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-methyl-2-thieno[2,3-b]indolecarboxamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-methylthieno[2,3-b]indole-2-carboxamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-4-methyl-thien[2,3-b]indole-2-carboxamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(S1)N(C3=CC=CC=C32)C)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C/C(=N\NC(=O)C1=CC2=C(S1)N(C3=CC=CC=C32)C)/CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21N3O3S/c1-14(7-8-15-9-10-19-20(11-15)29-13-28-19)24-25-22(27)21-12-17-16-5-3-4-6-18(16)26(2)23(17)30-21/h3-6,9-12H,7-8,13H2,1-2H3,(H,25,27)/b24-14+