3-(1,3-benzothiazol-2-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(isopropylcarbamoylamino)benzyl]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H24N4O2S/c1-14(2)23-21(27)24-16-9-7-15(8-10-16)13-22-19(26)11-12-20-25-17-5-3-4-6-18(17)28-20/h3-10,14H,11-13H2,1-2H3,(H,22,26)(H2,23,24,27)