[2-(1,3-benzothiazol-2-yl)-4-phenyl-but-3-yn-2-yl] N-phenylcarbamate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)-4-phenyl-but-3-yn-2-yl] N-phenylcarbamate Openeye Name: [1-(1,3-benzothiazol-2-yl)-1-methyl-3-phenyl-prop-2-ynyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [2-(1,3-benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [1-(1,3-benzothiazol-2-yl)-1-methyl-3-phenyl-prop-2-ynyl] ester Formula: C24H18N2O2S MolecularWeight: 398.47692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=CC=C1)(C2=NC3=CC=CC=C3S2)OC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(C#CC1=CC=CC=C1)(C2=NC3=CC=CC=C3S2)OC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H18N2O2S/c1-24(17-16-18-10-4-2-5-11-18,22-26-20-14-8-9-15-21(20)29-22)28-23(27)25-19-12-6-3-7-13-19/h2-15H,1H3,(H,25,27)