N-[3-[[2-(1,3-benzothiazol-2-ylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[2-(1,3-benzothiazol-2-ylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[2-(1,3-benzothiazol-2-ylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[2-(1,3-benzothiazol-2-ylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[2-(1,3-benzothiazol-2-ylamino)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=CC=C1)NC(=O)C2CC2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NCC1=CC(=CC=C1)NC(=O)C2CC2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O2S/c1-13(23-21-25-17-7-2-3-8-18(17)28-21)19(26)22-12-14-5-4-6-16(11-14)24-20(27)15-9-10-15/h2-8,11,13,15H,9-10,12H2,1H3,(H,22,26)(H,23,25)(H,24,27)