4-(1,3-benzothiazol-2-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-4-(1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-4-(1,3-benzothiazol-2-yl)butyramide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

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