N-[(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: N-[(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: N-[(1,1,3,3,6-pentamethyl-7-nitro-indan-5-yl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: N-[(1,1,3,3,6-pentamethyl-7-nitro-indan-5-yl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C)C)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C)C)NC(=S)NC(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3S/c1-15-18(25-22(31)26-19(28)12-11-16-9-7-6-8-10-16)13-17-20(21(15)27(29)30)24(4,5)14-23(17,2)3/h6-13H,14H2,1-5H3,(H2,25,26,28,31)