(E)-N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[[(1R)-1-(1-adamantyl)ethyl]amino]-sulfanylidenemethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[[(1R)-1-(1-adamantyl)ethyl]thiocarbamoyl]-3-(2-thienyl)acrylamide Formula: C20H26N2OS2 MolecularWeight: 374.56324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C=CC4=CC=CS4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C20H26N2OS2/c1-13(20-10-14-7-15(11-20)9-16(8-14)12-20)21-19(24)22-18(23)5-4-17-3-2-6-25-17/h2-6,13-16H,7-12H2,1H3,(H2,21,22,23,24)/b5-4+/t13-,14?,15?,16?,20?/m1/s1