5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-1-[(2S)-butan-2-yl]-4-oxidanylidene-N-prop-2-enyl-pyridine-3-carboxamide

Systemtic Name: 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-1-[(2S)-butan-2-yl]-4-oxidanylidene-N-prop-2-enyl-pyridine-3-carboxamide Openeye Name: N-allyl-5-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1-[(1S)-1-methylpropyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-1-[(2S)-butan-2-yl]-4-oxo-N-prop-2-enyl-3-pyridinecarboxamide IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1-[(2S)-butan-2-yl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide Traditional Name: N-allyl-5-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-4-keto-1-[(1S)-1-methylpropyl]nicotinamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)NCC=C

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)NCC=C

InChI

InChI=1S/C25H29N5O3S/c1-4-10-26-23(32)18-15-30(17(3)5-2)16-19(22(18)31)24(33)28-11-13-29(14-12-28)25-27-20-8-6-7-9-21(20)34-25/h4,6-9,15-17H,1,5,10-14H2,2-3H3,(H,26,32)/t17-/m0/s1