N-[3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-2,2-dimethyl-propanamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-oxo-propyl]-2,2-dimethyl-propanamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-keto-propyl]-2,2-dimethyl-propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCCC(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C(=O)NCCC(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25N3O2S/c1-22(2,3)21(27)23-13-12-19(26)24-16-10-8-15(9-11-16)14-20-25-17-6-4-5-7-18(17)28-20/h4-11H,12-14H2,1-3H3,(H,23,27)(H,24,26)