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(E)-N-(2-adamantylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide

(E)-N-(2-adamantylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name:(E)-N-(2-adamantylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide
Openeye Name:(E)-N-(2-adamantylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide
CAS Name:(E)-N-[(2-adamantylamino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide
IUPAC Name:(E)-N-(2-adamantylcarbamothioyl)-3-(3-nitrophenyl)prop-2-enamide
Traditional Name:(E)-N-(2-adamantylthiocarbamoyl)-3-(3-nitrophenyl)acrylamide
Formula: C20H23N3O3S
MolecularWeight: 385.47992
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]


InChI

InChI=1S/C20H23N3O3S/c24-18(5-4-12-2-1-3-17(11-12)23(25)26)21-20(27)22-19-15-7-13-6-14(9-15)10-16(19)8-13/h1-5,11,13-16,19H,6-10H2,(H2,21,22,24,27)/b5-4+


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