N3-tert-butyl-8-methoxy-N3-methyl-N9-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3,9-dicarboxamide

Systemtic Name: N3-tert-butyl-8-methoxy-N3-methyl-N9-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3,9-dicarboxamide Openeye Name: N3-tert-butyl-8-methoxy-N3-methyl-N9-(1,3,4-thiadiazol-2-yl)-1-(2-thienyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3,9-dicarboxamide CAS Name: N3-tert-butyl-8-methoxy-N3-methyl-N9-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3,9-dicarboxamide IUPAC Name: 3-N-tert-butyl-8-methoxy-3-N-methyl-9-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3,9-dicarboxamide Traditional Name: N-tert-butyl-8-methoxy-N-methyl-N'-(1,3,4-thiadiazol-2-yl)-1-(2-thienyl)-5,6-dihydropyrrol[2,1-a]isoquinoline-3,9-dicarboxamide Formula: C26H27N5O3S2 MolecularWeight: 521.65428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C)C(=O)C1=CC(=C2N1CCC3=CC(=C(C=C32)C(=O)NC4=NN=CS4)OC)C5=CC=CS5

Isomeric SMILES

CC(C)(C)N(C)C(=O)C1=CC(=C2N1CCC3=CC(=C(C=C32)C(=O)NC4=NN=CS4)OC)C5=CC=CS5

InChI

InChI=1S/C26H27N5O3S2/c1-26(2,3)30(4)24(33)19-13-18(21-7-6-10-35-21)22-16-12-17(23(32)28-25-29-27-14-36-25)20(34-5)11-15(16)8-9-31(19)22/h6-7,10-14H,8-9H2,1-5H3,(H,28,29,32)