N-[4-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butyl]benzamide

Systemtic Name: N-[4-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butyl]benzamide Openeye Name: N-[4-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]amino]-4-oxo-butyl]benzamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]amino]-4-oxobutyl]benzamide IUPAC Name: N-[4-[[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide Traditional Name: N-[4-[[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]amino]-4-keto-butyl]benzamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)CCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)CCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4S/c25-19(7-4-10-22-20(26)14-5-2-1-3-6-14)24-21-23-16(12-29-21)15-8-9-17-18(11-15)28-13-27-17/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,22,26)(H,23,24,25)